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1. Structural Aspects of the Superionic Transition in AX2 Compounds With the Fluorite Structure

Author

Paul C. M. Fossati, Alain Chartier, and Alexandre Boulle

Subjects
molecular dynamics, fluorite, superionic, atomic-scale simulation, computational diffraction, XRD, Chemistry, QD1-999
Abstract

Some AX2 binary compounds with the fluorite structure (space group Fm3̄m) are well-known examples of materials exhibiting transitions to ionic superconducting phases at high temperatures below their melting points. Such superionic states have been described as either highly defective crystals or part-crystal, part-liquid states where the A ions retain their crystalline order whilst the X ions undergo partial melting. However, no detailed description of the structure of these phases exists. We present here the results of our investigation of the structural changes that occur during these transitions and the structural characteristics of the resulting superionic materials. This work is based on atomic-scale molecular dynamics modelling methods as well as computational diffraction techniques. We employed a set of empirical potentials representing several compounds with the fluorite structure to investigate any potential-dependent effect. We show the importance of small-scale structure changes, with some local environments showing a hexagonal symmetry similar to what is seen in the scrutinyite structure that has been documented for example in UO2.

Published
2021
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3. Monitoring of the recovery of ion-damaged 4H-SiC with in-situ synchrotron X-ray diffraction as a tool for strain-engineering

Author

Anusmita Chakravorty, Alexandre Boulle, Aurélien Debelle, Isabelle Monnet, Gouranga Manna, Pinku Saha, Mrinmay Kumar Mukhopadhyay, Debdulal Kabiraj, Inter-University Accelerator Centre, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Matériaux, Défauts et IRradiations (MADIR), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Chemistry and Physics of Materials Unit [Bangalore, India], and Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)

Subjects
4H-SiC, Ion-irradiation, Mechanics of Materials, Mechanical Engineering, Thermal recovery, Synchrotron single-crystal XRD, General Materials Science, lattice damage, [CHIM.MATE]Chemical Sciences/Material chemistry, Strain-engineering
Abstract

International audience; In-situ thermal annealing (673-1273 K) during X-ray diffraction synchrotron measurements was performed to monitor the strain level as a proxy to follow the recovery of 300 keV Ar ion irradiated 4H-SiC single crystals. Results show that, when exposed to Ar ions at a fluence of 6.7 × 10 14 ions/cm 2 (0.7 dpa), the material suffers a maximum strain of 12% that reduces to 2% after the final anneal at 1273 K. In the same time, the disorder derived from the XRD data also demonstrates a thermal recovery of the crystalline structure. Hence, this work presents ion irradiation as a means to induce specific crystalline order and depth-controlled strain states within a few 100s of nm window in 4H-SiC.

Published
2022
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4. Structural and electrical properties of high-performance vanadium dioxide thin layers obtained by reactive magnetron sputtering

Author

Eduard-Nicolae Sirjita, Alexandre Boulle, Jean-Christophe Orlianges, Richard Mayet, Aurelian Crunteanu, XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Matériaux Procédés Environnement Ouvrages (IMPEO), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Matériaux Procédés Environnement Ouvrages (IMPEO), Université de Limoges (UNILIM)-Université de Limoges (UNILIM), This work benefited from government support managed by the National Research Agency under the Investments for the future program with the reference ANR-10-LABX-0074-01 Sigma-LIM. The authors acknowledge support from the PETACom FET Open H2020 grant number 829153 and the Femto-VO2 Project (Nouvelle-Aquitaine region)., ANR-10-LABX-0074,Sigma-LIM,From specific ceramic materials and components to integrated, secured and intelligent communication systems(2010), and European Project: 712590,H2020 FET Open 'Technologies futures et émergentes',829153,PETACom(2019)

Subjects
Vanadium Dioxide, Metal-insulator transition, Materials Chemistry, Metals and Alloys, Surfaces and Interfaces, [CHIM.MATE]Chemical Sciences/Material chemistry, Reactive magnetron sputtering, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials
Abstract

International audience; Epitaxial vanadium dioxide (VO2) films exhibiting an abrupt metal-insulator transition with resistivity ratios of five orders of magnitude have been grown on (001)-oriented sapphire substrates by reactive magnetron sputtering. The influence of deposition and annealing temperature on the structure and morphology of the layers are discussed as well as their impact on the films' electrical properties. Thus, the VO2 layers obtained using the optimal experimental conditions have electrical resistivity ratios over 10 5 and can be obtained on substrates as large as three-inch in diameter. The combination of the scalability of magnetron sputtering and the high quality of the films enables the large-scale industrial applications of high quality VO2 layers.

Published
2022
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5. Strain and damage build-up in irradiated crystals: Coupling X-ray diffraction with numerical simulations

Author

Thomas Jourdan, Alain Chartier, Alexandre Boulle, S. Pellegrino, Aurélien Debelle, Jean-Paul Crocombette, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Service de la Corrosion et du Comportement des Matériaux dans leur Environnement (SCCME), Département de Physico-Chimie (DPC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), and Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Diffraction, Nuclear and High Energy Physics, Materials science, business.industry, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Atomic units, Macroscopic scale, 0103 physical sciences, Femtosecond, X-ray crystallography, Radiative transfer, Radiation damage, Microelectronics, 010306 general physics, 0210 nano-technology, business, [CHIM.RADIO]Chemical Sciences/Radiochemistry, Instrumentation
Abstract

International audience; Radiation damage in materials is a space and time multi-scale process, ranging from the atomic scale up to the macroscopic scale, and from the femtosecond up to several years. The prediction of the long term evolution of materials subjected to radiative environments (in the nuclear or in the space industry, as well as in the field of microelectronics) therefore requires the combination of several simulation and experimental techniques able to cover the different space and time scales involved. X-ray diffraction (XRD) is highly sensitive to atomic displacements while probing macroscopic volumes of material. In this respect it is perfectly suited for the study of radiation damage. In this work it is shown how XRD can be quantitatively and qualitatively used in combination with numerical simulations, like molecular dynamics and rate-equation cluster dynamics, to analyze damage build-up in irradiated SiC and ZrC single crystals. Particular emphasis is laid on the methodological aspects of XRD data treatment in order to extract parameters such as damage-induced strain and disorder.

Published
2019
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6. Disordering kinetics in monocrystalline and epitaxial Si upon energy deposition induced by dual-beam ion irradiation

Author

O. Najjar, Aurélien Debelle, C. Cabet, Alexandre Boulle, E. Olebunne, Lionel Thomé, F. Pallier, Gaëlle Gutierrez, Frédérico Garrido, Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and An-Najah National University

Subjects
010302 applied physics, Materials science, Thin layers, Annealing (metallurgy), Analytical chemistry, 02 engineering and technology, General Chemistry, 021001 nanoscience & nanotechnology, Rutherford backscattering spectrometry, 01 natural sciences, 7. Clean energy, Fluence, Ion, Monocrystalline silicon, Crystallinity, 0103 physical sciences, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Irradiation, 0210 nano-technology
Abstract

International audience; In this work, the effect on the amorphization process of the simultaneous electronic (Se) and nuclear (Sn) energy deposition occurring upon dual-beam irradiation experiments was studied in both bulk Si single-crystals (Si-b) and epitaxial Si thin layers (Si-tl). For this purpose, 900 keV I (for Sn) and 27 MeV Fe (for Se) ions were used at different fluences in order to get complete disordering kinetics. These latter were determined through the monitoring of both the disorder fraction, obtained via Rutherford backscattering spectrometry in channeling experiments and the elastic strain derived from X-ray diffraction measurements. Raman spectroscopy 2D-maps were also recorded to support the results of the two other techniques. RBS/C data indicate that Sn irradiation alone leads to full amorphization of the irradiated region in both Si-b and Si-tl at a fluence of 1.5 × 1014 cm−2. In contrast, during the dual-beam irradiation (Sn & Se), such a complete phase transformation is prevented up to a fluence of 3 × 1014 cm−2. Similarly, the maximum elastic strain developing before the loss of crystallinity reaches a maximum of ~ 1% at 1.5 × 1014 cm−2, but it remains below 0.2% at the same fluence in the Sn & Se regime for which full amorphization is not detected. These results indicate that the electronic energy deposition induces a significant dynamic annealing of the damage created by the nuclear energy loss, and this annealing occurs over the entire investigated fluence range (i.e., up to 3 × 1014 cm−2). The annealing efficiency is shown to be lower for Si-tl, as demonstrated by the disorder and strain values that are always larger than for the bulk counterpart.

Published
2021
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8. Nacre-like alumina composites based on heteroaggregation

Author

Fabrice Rossignol, Sylvain Deville, Arnaud Videcoq, Hassan Saad, Alexandre Boulle, Manuella Cerbelaud, Mariana Muňoz, Sylvain Meille, Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Synthèse et Fonctionnalisation de Céramiques (LSFC), Saint Gobain-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Matériaux, ingénierie et science [Villeurbanne] (MATEIS), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Liquides et interfaces (L&I), Institut Lumière Matière [Villeurbanne] (ILM), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, and ANR-16-CE08-0006,BICuIT,Bioinspired Structural Ceramic Composite(2016)

Subjects
Toughness, Nacre-like composite, Materials science, Sintering, Platelet alignment, 02 engineering and technology, 01 natural sciences, Colloid, [SPI]Engineering Sciences [physics], Settling, 0103 physical sciences, Materials Chemistry, medicine, [CHIM]Chemical Sciences, Ceramic, Anisotropic particles, Composite material, 010302 applied physics, [PHYS]Physics [physics], Freeze-granulation, Stiffness, 021001 nanoscience & nanotechnology, Microstructure, visual_art, Ceramics and Composites, visual_art.visual_art_medium, Heteroaggregation, medicine.symptom, 0210 nano-technology
Abstract

High strength and high toughness are usually mutually exclusive in materials. Among all material classes, ceramics exhibit a high stiffness and strength, but they present a limited plastic deformation, which results in a moderate toughness. However, tough ceramics have been obtained using anisotropic particles organized in a "brick and mortar" microstructure, inspired by the structure of the natural nacre. Here, we propose to build nacre-like ceramic composites from colloidal suspensions using heteroaggregation of particles. Two different shaping processes are used: direct settling of suspensions or freeze-granulation. After sintering, in both cases, the platelets alignment is very good, close to that of platelets in natural nacre, with a slightly better one noted for direct settling. Despite a better platelet alignment, the toughness is lower than in previous studies showing that further improvement of the interfacial phases present in the material must now be considered to reinforce its mechanical behavior.

Published
2020
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9. Phase Change Materials with Tunable Optical and Electrical Properties for Photonics and THz Programmable (Meta)devices

Author

Alexandre Boulle, Jean-Christophe Orlianges, Aurelian Crunteanu, Georges Humbert, Annie Bessaudou, RF-ELITE : RF-Electronique Imprimée pour les Télécommunications et l'Energie (XLIM-RFEI), XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Photonique Fibre et Sources Cohérentes (XLIM-PHOT), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and CRUNTEANU, Aurelian

Subjects
Phase transition, Materials science, business.industry, Chalcogenide, Terahertz radiation, [SPI] Engineering Sciences [physics], Nonlinear optics, 02 engineering and technology, 01 natural sciences, Optical switch, Optical bistability, 010309 optics, chemistry.chemical_compound, [SPI]Engineering Sciences [physics], 020210 optoelectronics & photonics, chemistry, 0103 physical sciences, 0202 electrical engineering, electronic engineering, information engineering, Optoelectronics, Photonics, business, Optical filter, ComputingMilieux_MISCELLANEOUS
Abstract

We present our current researches on phase transition materials (vanadium dioxide, VO2) performing a thermally- or electrically-triggered metal-insulator transition and on chalcogenide amorphous-to-crystalline phase change materials like GeTe or Ge 2 Sb 2 Te 5 and we will focus on their tunable electrical and optical properties for applications in different domains spanning from DC to millimeter waves, THz and optics

Published
2020

10. Symmetry degeneration and room temperature ferroelectricity in ion-irradiated SrTiO 3

Author

Jong Keum, Haizhou Xue, Fuxiang Zhang, William J. Weber, Alexandre Boulle, Yanwen Zhang, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Condensed matter physics, Phonon, 02 engineering and technology, Electron, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 7. Clean energy, 01 natural sciences, Ferroelectricity, Ion, symbols.namesake, 0103 physical sciences, X-ray crystallography, symbols, General Materials Science, Irradiation, Thin film, 010306 general physics, 0210 nano-technology, Raman spectroscopy, ComputingMilieux_MISCELLANEOUS
Abstract

Polar phonon modes associated with room temperature ferroelectricity are observed in SrTiO3 single crystals irradiated with Ti ions. Quantitative strain analysis reveals that irradiation-induced out-of-plane strain drives the centrosymmetric cubic SrTiO3 to a tetragonal-like structure in the maximum damaged region. Energy transfer from ions to electrons during ion irradiation yields defects in SrTiO3 that also plays an important role for the room temperature ferroelectricity. Different from thin film techniques, the ferroelectricity in the ion irradiated SrTiO3 can occur for much larger thicknesses, depending on the energy and type of ion.

Published
2020
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11. Comparison of neutron and ion irradiation induced lattice parameter changes in Ni and MgO single crystals

Author

Alexandre Boulle, Aurélien Debelle, Jerome Bourcois, Xin Jin, Institut de Recherche sur les CERamiques (IRCER), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, Condensed Matter - Materials Science, Nuclear and High Energy Physics, Materials science, 02 engineering and technology, 021001 nanoscience & nanotechnology, 7. Clean energy, 01 natural sciences, Molecular physics, Ion, Lattice constant, Recoil, Nuclear Energy and Engineering, Lattice (order), 0103 physical sciences, Atom, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Neutron, Irradiation, 0210 nano-technology
Abstract

Data, available in the literature, of lattice parameter changes (i.e. elastic strain) in Ni and MgO single crystals neutron-irradiated in nuclear reactors are tentatively reproduced using ad hoc ion irradiation experiments. The nature and energy of the ions were selected so that their weighted average recoil spectrum matches at best that of the neutron spectrum inside the reactor. The ion fluence was calculated to obtain similar displacement per atom (dpa) levels. The lattice parameters of the irradiated samples were determined using high-resolution X-ray diffraction. We show that, for Ni, it is not possible to reproduce the neutron data because no lattice parameter change is measured after ion irradiation. Main reasons for this failure are the low dpa levels, the small damaged volume and the presence of a complex defect spectrum that leads to a net zero strain. On the contrary, for MgO, which is more prone to exhibiting high strain levels upon irradiation, a very close lattice parameter change buildup is obtained between neutron and ion irradiations, providing that the ion irradiation temperature is significantly increased (by ∼473 K).

Published
2020
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12. Analysis of strain and disordering kinetics based on combined RBS-channeling and X-ray diffraction atomic-scale modelling

Author

Xin Jin, Jean-Paul Crocombette, Alexandre Boulle, Aurélien Debelle, Alain Chartier, Laboratoire de Physique des 2 Infinis Irène Joliot-Curie (IJCLab), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Service de la Corrosion et du Comportement des Matériaux dans leur Environnement (SCCME), Département de Physico-Chimie (DPC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, Service de recherches de métallurgie physique (SRMP), and Département des Matériaux pour le Nucléaire (DMN)

Subjects
Diffraction, Materials science, Polymers and Plastics, 02 engineering and technology, Channelling, 01 natural sciences, Atomic units, X-ray diffraction (XRD), 0103 physical sciences, Radiative transfer, Microelectronics, Absolute scale, 010302 applied physics, business.industry, Molecular dynamics simulations, Metals and Alloys, Experimental data, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Rutherford backscattering spectrometry, Electronic, Optical and Magnetic Materials, Computational physics, Ceramics and Composites, Defects, 0210 nano-technology, business, [CHIM.RADIO]Chemical Sciences/Radiochemistry, RBS/C, Irradiation effect
Abstract

International audience; Ion beams delivered by particle accelerators are routinely used to emulate harsh, radiative environments and they also constitute the foundations of the modern microelectronics industry. To characterize irradiated materials, numerous experimental and computational techniques can be implemented, but it is extremely difficult to effectively intertwine them, and to compare the associated data. In the present work, we present an integrated, experimental and computational approach that uses a same set of molecular dynamics simulations to generate signals of Rutherford backscattering spectrometry in channelling condition and X-ray diffraction, with UO2 as a test-case material. From these signals, parameters to monitor the damage level are computed, compared and confronted with experimental data. Although the evolution of the strain and disordering kinetics obtained by simulations differ on an absolute scale from those obtained experimentally (a discrepancy inherent to the method used to generate the atomic-scale data), a very good relative agreement is obtained, which demonstrates the validity of the approach, hence providing a new tool for the fine study of irradiation effects in materials.

Published
2020
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13. An Integrated Experimental and Computational Approach for the Investigation of Irradiation Effects in Materials

Author

Alain Chartier, Aurélien Debelle, Xin Jin, Alexandre Boulle, and Jean-Paul Crocombette

Subjects
Diffraction, business.industry, Computer science, Nuclear engineering, Experimental data, Particle accelerator, Rutherford backscattering spectrometry, Channelling, law.invention, law, Radiative transfer, Microelectronics, Irradiation, business
Abstract

Ion beams delivered by particle accelerators are routinely used to emulate harsh, radiative environments and they also constitute the foundations of the modern microelectronics industry. To characterize irradiated materials, numerous experimental and computational techniques can be implemented, but it is extremely diffcult to effectively intertwine them, and to compare the associated data. In the present work, we present an integrated, experimental and computational approach that uses a same set of molecular dynamics simulations to generate signals of Rutherford backscattering spectrometry in channelling condition andX-ray diffraction, with UO2 as a test-case material. From these signals, parameters to monitor the damage level are computed, compared and confronted with experimental data. The good agreement that comes out demonstrates the validity of the approach, hence providing a new tool for the fine study of irradiation effects in materials.

Published
2020
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14. RaDMaX online: a web-based program for the determination of strain and damage profiles in irradiated crystals using X-ray diffraction

Author

Alexandre Boulle, Vincent Mergnac, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Boulle, Alexandre

Subjects
Diffraction, Web development, Computer science, FOS: Physical sciences, 02 engineering and technology, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, Software, Computer graphics (images), 0103 physical sciences, Web application, ComputingMilieux_MISCELLANEOUS, computer.programming_language, 010302 applied physics, Web browser, [CHIM.MATE] Chemical Sciences/Material chemistry, Condensed Matter - Materials Science, business.industry, Materials Science (cond-mat.mtrl-sci), [CHIM.MATE]Chemical Sciences/Material chemistry, Python (programming language), 021001 nanoscience & nanotechnology, [PHYS.COND.CM-MS] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], X-ray crystallography, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], The Internet, 0210 nano-technology, business, computer
Abstract

RaDMaX online is a major update to the previously published RaDMaX (radiation damage in materials analysed with X-ray diffraction) software [Souilah, Boulle & Debelle (2016). J. Appl. Cryst. 49, 311–316]. This program features a user-friendly interface that allows retrieval of strain and disorder depth profiles in irradiated crystals from the simulation of X-ray diffraction data recorded in symmetrical θ/2θ mode. As compared with its predecessor, RaDMaX online has been entirely rewritten in order to be able to run within a simple web browser, therefore avoiding the necessity to install any programming environment on the users' computers. The RaDMaX online web application is written in Python and developed within a Jupyter notebook implementing graphical widgets and interactive plots. RaDMaX online is free and open source and can be accessed on the internet at https://aboulle.github.io/RaDMaX-online/.

Published
2019
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15. Texture and interface characterization of iridium thin films grown on MgO substrates with different orientations

Author

Catalin Constantinescu, L. Nedelcu, Laure Huitema, Marian Gabriel Banciu, Alexandre Boulle, Aurelian Crunteanu, Lucian Trupina, National Institute for Materials Physics - NIMP (ROMANIA), RF-ELITE : RF-Electronique Imprimée pour les Télécommunications et l'Energie (XLIM-RFEI), XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Systèmes RF (XLIM-SRF), IRCER - Axe 2 : procédés plasmas et lasers (IRCER-AXE2), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3)

Subjects
Materials science, Scanning electron microscope, thin film, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, lattice distortion, Epitaxy, 01 natural sciences, Mosaicity, [SPI.MAT]Engineering Sciences [physics]/Materials, 0103 physical sciences, General Materials Science, mosaicity, Iridium, Thin film, 010302 applied physics, Mechanical Engineering, epitaxy, Sputter deposition, iridium, 021001 nanoscience & nanotechnology, Surface energy, chemistry, Mechanics of Materials, Transmission electron microscopy, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], interface, 0210 nano-technology, texturation
Abstract

International audience; Iridium thin films are grown by direct-current plasma magnetron sputtering, on MgO single crystal substrates with various surface orientation, i.e. (100), (111) and (110). The surface morphology, the crystalline properties of the films, and the substrate-thin film interface, are investigated by atomic force microscopy (AFM), X-ray diffraction (XRD), focused ion beam scanning electron microscopy (FIB-SEM), and high-resolution transmission electron microscopy (HR-TEM), respectively. The results reveal that hetero-epitaxial thin films with different crystallographic orientation and notable atomic scale smooth surface are obtained. From the XRD analysis the following epitaxial relations are obtained: i) (100) Ir || (100) MgO out-of-plane and [001] Ir || [001] MgO in-plane for Ir grown on MgO(100), ii) (110) Ir || (110) MgO out-of-plane and [1-10] Ir || [1-10] MgO in-plane for Ir grown on MgO(110) and iii) (111) Ir || (111) MgO out-of-plane and two variants for in-plane orientation [1-10] Ir || [1-10] MgO and [1-10] Ir || [10-1] MgO , respectively for Ir grown on MgO(111). Because of the large misfit strain (9.7%), the thin films are found to grow in a strain-relaxed state with the formation of geometrical misfit dislocations with a ~2.8 nm spacing, whereas thermal strain is stored upon cooling down from the growth temperature (600 °C). The best structural characteristics are obtained for the (111) oriented films with a mosaicity of 0.3° and vanishingly small lattice distortions. The (100)-and (110)-oriented films exhibit mosaicities of ̴ 1.2° and lattice distortions of ̴ 1% which can be explained by the larger surface energy of these planes as compared to (111).

Published
2019
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16. High-performance Python for crystallographic computing

Author

Alexandre Boulle, Jérôme Kieffer, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and European Synchrotron Radiation Facility (ESRF)

Subjects
[INFO.INFO-PL]Computer Science [cs]/Programming Languages [cs.PL], Lift (data mining), Computer science, NumPy, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, Python (programming language), 021001 nanoscience & nanotechnology, 010403 inorganic & nuclear chemistry, computer.software_genre, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, 0104 chemical sciences, Crystallography, Python language, [CHIM.CRIS]Chemical Sciences/Cristallography, Numerical computing, Compiler, [INFO.INFO-DC]Computer Science [cs]/Distributed, Parallel, and Cluster Computing [cs.DC], 0210 nano-technology, computer, Implementation, De facto standard, computer.programming_language
Abstract

The Python programming language, combined with the numerical computing library NumPy and the scientific computing library SciPy, has become the de facto standard for scientific computing in a variety of fields. This popularity is mainly due to the ease with which a Python program can be written and executed (easy syntax, dynamical typing, no compilation etc.), coupled with the existence of a large number of specialized third-party libraries that aim to lift all the limitations of the raw Python language. NumPy introduces vector programming, improving execution speeds, whereas SciPy brings a wealth of highly optimized and reliable scientific functions. There are cases, however, where vector programming alone is not sufficient to reach optimal performance. This issue is addressed with dedicated compilers that aim to translate Python code into native and statically typed code with support for the multi-core architectures of modern processors. In the present article it is shown how these approaches can be efficiently used to tackle different problems, with increasing complexity, that are relevant to crystallography: the 2D Laue function, scattering from a strained 2D crystal, scattering from 3D nanocrystals and, finally, diffraction from films and multilayers. For each case, detailed implementations and explanations of the functioning of the algorithms are provided. Different Python compilers (namely NumExpr, Numba, Pythran and Cython) are used to improve performance and are benchmarked against state-of-the-art NumPy implementations. All examples are also provided as commented and didactic Python (Jupyter) notebooks that can be used as starting points for crystallographers curious to enter the Python ecosystem or wishing to accelerate their existing codes.

Published
2019
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17. Defects and mechanical properties in weakly damaged Si ion implanted GaAs

Author

Markus Rettenmayr, E. Schmidt, Elke Wendler, R. Loetzsch, Aurélien Debelle, Andreas Undisz, Giuseppe Zollo, Alexandre Boulle, P. Kutza, Ingo Uschmann, Fabrizio Gala, Sascha Creutzburg, Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), and Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Diffraction, [PHYS]Physics [physics], Materials science, GaAs, Semiconductors I: bulk, 02 engineering and technology, 021001 nanoscience & nanotechnology, Rutherford backscattering spectrometry, Microstructure, 01 natural sciences, Crystallographic defect, Molecular physics, radiation damage, GaAs, defects, Ion, Shear modulus, Transmission electron microscopy, radiation damage, 0103 physical sciences, 010306 general physics, 0210 nano-technology, Spectroscopy, defects
Abstract

Damage formation is investigated in GaAs implanted with 1 MeV Si ions to ion fluences from $3\ifmmode\times\else\texttimes\fi{}{10}^{12}$ to $5\ifmmode\times\else\texttimes\fi{}{10}^{15}\phantom{\rule{4pt}{0ex}}{\mathrm{cm}}^{\ensuremath{-}2}$ at room temperature. Under the conditions applied, amorphization of the implanted layers does not occur. The weakly damaged layers are studied by applying different experimental techniques including Rutherford backscattering spectrometry in channeling configuration, x-ray diffraction, in situ curvature measurement, optical subgap spectroscopy, and transmission electron microscopy. The results are evaluated and quantitatively connected with each other. Damage formation is described as a function of the ion fluence using a common defect evolution model. Point defects and defect clusters have to be taken into account in the ion fluence range of main interest up to $2\ifmmode\times\else\texttimes\fi{}{10}^{15}\phantom{\rule{4pt}{0ex}}{\mathrm{cm}}^{\ensuremath{-}2}$. Point defects contribute by a factor of about 8 more to both perpendicular strain and in-plane stress than defect clusters. When the concentration of point defects or the induced strain reaches a critical value, defect clusters form, which ensures that no further increase of perpendicular strain occurs. This reveals a clear driving force for cluster formation. The microstructure of the defect clusters cannot be determined from the results. ${\mathrm{As}}_{3}{\mathrm{Ga}}_{2}$ interstitial clusters are supposed. A remarkable decrease of the shear modulus of the implanted layers below the value of pristine GaAs by $\ensuremath{\approx}\ensuremath{-}35%$ is observed. Surprisingly, the change of shear modulus already sets in at a very low damage level of a few percent.

Published
2019
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18. Strain engineering 4H-SiC with ion beams

Author

Yanwen Zhang, Jong K. Keum, Fuxiang Zhang, Haizhou Xue, William J. Weber, Aurélien Debelle, Alexandre Boulle, Yang Tong, Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, [PHYS]Physics [physics], Materials science, Physics and Astronomy (miscellaneous), Annealing (metallurgy), Physics::Instrumentation and Detectors, Physics::Medical Physics, Analytical chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, Rutherford backscattering spectrometry, 01 natural sciences, Fluence, Ion, symbols.namesake, Condensed Matter::Materials Science, Strain engineering, Physics::Plasma Physics, 0103 physical sciences, symbols, Irradiation, 0210 nano-technology, Single crystal, Raman scattering
Abstract

International audience; Single crystals of 4H-SiC irradiated with 900 keV Si and 21 MeV Ni ions separately and sequentially were studied by Rutherford backscattering spectrometry in channeling geometry, single crystal X-ray diffraction, and Raman scattering. SiC irradiated with 900 keV Si ions to a fluence of 6.3 × 1014 ions/cm2 experiences 7.3% strain over the depth of 650 nm. Strain relaxation from ionization-induced annealing was directly observed due to subsequent irradiation with 21 MeV Ni ions to a fluence of 2 × 1014 ions/cm2. These competitive processes suggest the use of ion irradiation to create a specific strain state in 4H-SiC, particularly in films.

Published
2019
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19. Microwave dielectric properties of pure and Mn-doped lead-free Na0.5Bi0.5TiO3epitaxial thin films grown on (001) LaAlO3single crystals using pulsed laser deposition

Author

Laure Huitema, Jean-René Duclere, Jean-Christophe Orlianges, Damien Passerieux, F. Rémondière, Aurelian Crunteanu, Alexandre Boulle, Stéphanie Députier, M. Chatras, M. Guilloux Viry, F. Jean, M. Rammal, and Areski Ghalem

Subjects
010302 applied physics, Permittivity, Materials science, Analytical chemistry, Relative permittivity, 02 engineering and technology, Surfaces and Interfaces, Dielectric, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Capacitance, Ferroelectricity, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Pulsed laser deposition, 0103 physical sciences, Materials Chemistry, Dielectric loss, Electrical and Electronic Engineering, Thin film, 0210 nano-technology
Abstract

(001)-epitaxial thin films of pure and Mn-doped lead-free Na0.5Bi0.5TiO3 (NBT) were grown on (00l) LaAlO3 single crystals, by pulsed laser deposition. The determination of the microwave dielectric permittivity, from interdigitated capacitance values treated using the combination of two previously developed analytical models, constitutes the backbone of this work. In the 3–5 GHz frequency range, constant ϵr values of ∼485 and ∼515 for the pure and Mn-doped layers, respectively, were extracted and found in good agreement with literature data for pure NBT bulk ceramics, thus underlining the relevance of the approach. These permittivity values were re-injected in a second step into an electromagnetic simulation of the equivalent electrical circuit. Smith charts revealed the good matching between experimental and simulated data, proving that the employed method appears meaningful. Mn doping seems to lead to a small permittivity increase and clearly to a moderate reduction of the dielectric losses in the 3–5 GHz interval. Finally, the variation of the capacitance versus temperature testifies to the ferroelectric nature of the samples.

Published
2016
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20. Size distribution of black spot defects and their contribution to swelling in irradiated SiC

Author

Alexandre Boulle, Li He, Y. Zhai, Paul M. Voyles, Beata Tyburska-Püschel, Cheng Liu, Kumar Sridharan, Izabela Szlufarska, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and DERORY, BEATRICE

Subjects
Nuclear and High Energy Physics, Materials science, chemistry.chemical_element, 02 engineering and technology, [SPI.MAT] Engineering Sciences [physics]/Materials, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, 0103 physical sciences, medicine, General Materials Science, Irradiation, Composite material, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, [CHIM.MATE] Chemical Sciences/Material chemistry, Substrate (chemistry), [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Nuclear Energy and Engineering, chemistry, Swelling, medicine.symptom, 0210 nano-technology, Carbon, Order of magnitude, Black spot
Abstract

Experimental and modeling efforts were combined to investigate the role of black spot defects (BSD) in swelling of carbon- and krypton-irradiated 4H-SiC. Samples were exposed to conditions favoring BSD formation: irradiation at temperatures 600–950 °C and damage levels of 0.4–0.8 dpa. The maximum XRD swelling values, corrected for the effect of the rigid substrate, of 0.58% for C and 0.75% for Kr-irradiation were measured at the lowest irradiation temperature of 600 °C and decreased with increasing temperature. The swelling values estimated from TEM are on the same order of magnitude, but usually 40–70% lower than those measured by XRD. The contribution of BSDs to the overall swelling is 62% and the remainder of the swelling is caused by isolated point defects. The obtained results contribute to understanding of what defect types account for swelling and how their concentration evolves with the irradiation temperature and damage level.

Published
2016
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21. Comparative study of radiation defect dynamics in 3C-SiC by X-ray diffraction, Raman scattering, and ion channeling

Author

L. B. Bayu Aji, Elissaios Stavrou, Alexandre Boulle, Aurélien Debelle, Sergei O. Kucheyev, J. B. Wallace, Max-Planck-Institut für Festkörperforschung, Max-Planck-Gesellschaft, Speed Laboratory, University of Galasgow, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), and Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, Materials science, Relaxation (NMR), [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, General Chemistry, Radiation, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Ion, Characterization (materials science), symbols.namesake, 0103 physical sciences, X-ray crystallography, symbols, Radiation damage, General Materials Science, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS, Raman scattering
Abstract

At moderately elevated temperatures, radiation defects in SiC exhibit pronounced dynamic annealing, which remains poorly understood. Here, we study 3C-SiC bombarded at 100 $$^{\circ }$$ C with pulsed beams of 500 keV Ar ions. Radiation damage is monitored by a combination of X-ray diffraction, Raman scattering, and ion channeling. Similar damage buildup behavior but with different defect relaxation time constants, ranging from $$\sim 1$$ to $$\sim 6$$ ms, is observed for the different types of lattice defects probed by these techniques. A correlation between relaxation times and the nature of the defects is proposed. These results reveal additional complexity of radiation defect dynamics in SiC and demonstrate that results of different defect characterization techniques are needed for a better understanding of dynamic annealing processes in solids.

Published
2018
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22. How relative defect migration energies drive contrasting temperature-dependent microstructural evolution in irradiated ceramics

Author

Alexandre Boulle, Enrique Martínez, Jean-Paul Crocombette, Frédérico Garrido, Lionel Thomé, Blas P. Uberuaga, Moni Behar, Yara Haddad, Aurélien Debelle, Diana Bachiller-Perea, Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11), Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM PCI), Université Paris-Saclay-Univ. Paris-Sud-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3), Universidad Federal de Río Grande del Sur, Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), and Los Alamos National Laboratory (LANL)

Subjects
Diffraction, Materials science, Physics and Astronomy (miscellaneous), Condensed matter physics, 02 engineering and technology, Rate equation, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Ion, [SPI.MAT]Engineering Sciences [physics]/Materials, visual_art, Vacancy defect, 0103 physical sciences, visual_art.visual_art_medium, General Materials Science, Cubic zirconia, Ceramic, Irradiation, 010306 general physics, 0210 nano-technology, Energy (signal processing), ComputingMilieux_MISCELLANEOUS
Abstract

Ceramic materials have become widely used in various fields of material science, and ceramic oxides such as cubic zirconia (c-${\mathrm{ZrO}}_{2})$ and magnesia (MgO) are candidate materials for nuclear energy applications. For the corresponding in-service conditions of these materials, there is a crucial need in studies at moderate or high temperatures of the physical phenomena underlying the damage buildup under irradiation. In the present work, we show, using x-ray diffraction, that these two materials exhibit a similar damage accumulation process under ion irradiation at fixed temperature. However, they display an unexpected opposite damaging rate to changes in the irradiation temperature. In fact, as the temperature is increased, the final damage state is reached earlier in c-${\mathrm{ZrO}}_{2}$ while it is delayed in MgO. Rate equation cluster dynamics simulations show that defect clustering is favored over defect recombination in c-${\mathrm{ZrO}}_{2}$, but the situation is reversed for MgO, explaining the observed opposite response to temperature of the two materials. This contrasting behavior can be rationalized in terms of nonequivalent interstitial versus vacancy defect migration energies in MgO. We finally demonstrate that these results allow for a qualitative prediction of the evolution of the experimental irradiation-induced disorder with temperature, henceforth potentially reducing the cost in selecting and developing ad hoc materials.

Published
2018
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23. Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism

Author

Alain Chartier, Diana Bachiller-Perea, Frédérico Garrido, Thomas Jourdan, Alexandre Boulle, S. Pellegrino, Jean-Paul Crocombette, Jayanth Channagiri, Tien-Hien Nguyen, Aurélien Debelle, Denise Carpentier, Lionel Thomé, Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Service de la Corrosion et du Comportement des Matériaux dans leur Environnement (SCCME), Département de Physico-Chimie (DPC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM PCI), and Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Univ. Paris-Sud

Subjects
Diffraction, computation, Materials science, Physics and Astronomy (miscellaneous), 02 engineering and technology, 01 natural sciences, Atomic units, Ion, [SPI.MAT]Engineering Sciences [physics]/Materials, Molecular dynamics, strain, 0103 physical sciences, General Materials Science, 010306 general physics, ComputingMilieux_MISCELLANEOUS, defects, atomic scale, Strain (chemistry), irradiation, Relaxation (NMR), [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Microstructure, X-ray diffraction, Chemical physics, Dislocation, 0210 nano-technology
Abstract

International audience; Modification of materials using ion beams has become a widespread route to improve or design materials for advanced applications, from ion doping for microelectronic devices to emulation of nuclear reactor environments. Yet, despite decades of studies, major issues regarding ion/solidinteractions are not solved, one of them being the lattice-strain development process in irradiated crystals. In this work, we address this question using a consistent approach that combines X-ray diffraction (XRD) measurements with both molecular dynamics (MD) and rate equation clusterdynamics (RECD) simulations. We investigate four distinct materials that differ notably in terms of crystalline structure and nature of the atomic bonding. We demonstrate that these materials exhibit a common behaviour with respect to the strain development process. In fact, a strain build-upfollowed by a strain relaxation is observed in the four investigated cases. The strain variation is unambiguously ascribed to a change in the defect configuration, as revealed by MD simulations. Strain development is due to the clustering of interstitial defects into dislocation loops, while the strain release is associated with the disappearance of these loops through their integration into a network of dislocation lines. RECD calculations of strain depth profiles, which are in agreement with experimental data, indicate that the driving force for the change in the defect nature is the defect clustering process. This study paves the way for quantitative predictions of the microstructure changes in irradiated materials.

Published
2018
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24. Advanced techniques for characterization of ion beam modified materials

Author

Filip Tuomisto, Yanwen Zhang, Patrick Kluth, Alexandre Boulle, Aurélien Debelle, Materials Science and Technology Division [Oak Ridge], Oak Ridge National Laboratory [Oak Ridge] (ORNL), UT-Battelle, LLC-UT-Battelle, LLC, Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM), Department of Electronic Materials Engineering, Australian National University (ANU), Department of Applied Physics [Aalto], and Aalto University

Subjects
Diffraction, defect, irradiation damage, Materials science, Ion beam, ta221, Nanotechnology, 02 engineering and technology, Electron, 01 natural sciences, Ion, Positron annihilation spectroscopy, [SPI.MAT]Engineering Sciences [physics]/Materials, symbols.namesake, Materials Science(all), 0103 physical sciences, ion beam, General Materials Science, 010306 general physics, ComputingMilieux_MISCELLANEOUS, ta218, ta214, ta114, Scattering, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Rutherford backscattering spectrometry, symbols, positron, Atomic physics, 0210 nano-technology, Raman spectroscopy
Abstract

Understanding the mechanisms of damage formation in materials irradiated with energetic ions is essential for the field of ion-beam materials modification and engineering. Utilizing incident ions, electrons, photons, and positrons, various analysis techniques, including Rutherford backscattering spectrometry (RBS), electron RBS, Raman spectroscopy, high-resolution X-ray diffraction, small-angle X-ray scattering, and positron annihilation spectroscopy, are routinely used or gaining increasing attention in characterizing ion beam modified materials. The distinctive information, recent developments, and some perspectives in these techniques are reviewed. Applications of these techniques are discussed to demonstrate their unique ability for studying ion-solid interactions and the corresponding radiation effects in modified depths ranging from a few nm to a few tens of μm, and to provide information on electronic and atomic structure of the materials, defect configuration and concentration, as well as phase stability, amorphization and recrystallization processes. Such knowledge contributes to our fundamental understanding over a wide range of extreme conditions essential for enhancing material performance and also for design and synthesis of new materials to address a broad variety of future energy applications.

Published
2015
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25. The amorphization of 3C-SiC irradiated at moderately elevated temperatures as revealed by X-ray diffraction

Author

J. B. Wallace, Alexandre Boulle, L. B. Bayu Aji, Sergei O. Kucheyev, Aurélien Debelle, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11), Speed Laboratory, University of Galasgow, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, Materials science, Polymers and Plastics, Metals and Alloys, Analytical chemistry, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, Atmospheric temperature range, 021001 nanoscience & nanotechnology, 01 natural sciences, Fluence, [SPI.MAT]Engineering Sciences [physics]/Materials, Electronic, Optical and Magnetic Materials, Ion, Crystal, Crystallography, 0103 physical sciences, X-ray crystallography, Ceramics and Composites, Radiation damage, Irradiation, 0210 nano-technology, ComputingMilieux_MISCELLANEOUS
Abstract

International audience; Mechanisms of radiation damage buildup in 3C-SiC remain poorly understood. Here, we use X-ray diffraction in combination with numerical simulations to study depth profiles of radiation-produced strain and lattice damage in 3C-SiC bombarded in the temperature range of 25-200 °C with 500 keV Ar ions. Results reveal increased defect recombination with increasing temperature, with a critical amorphization fluence increasing from 0.17 to 0.44 displacements per atom. The amorphization process is found to be correlated with the evolution of lattice strain. We find that, at fluences corresponding to the onset of amorphization, lattice strain is ~2% and is independent of temperature. With continuing bombardment above the onset of amorphization, the strain in the crystal bulk increases and reaches a saturation value that decreases from 7% to 5% with increasing temperature. Based on strain profiles, we compute depth profiles of the effective concentration of point defect clusters in the crystalline phase. Bombardment at higher temperatures results in lower maximum defect concentrations pointing to enhanced defect mobility. 1

Published
2017
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26. DxTools: Processing large data files recorded with the Bruker D8 diffractometer

Author

Alexandre Boulle, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Data processing, Commercial software, Computer science, Detector, Process (computing), Repetitive task, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, File format, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, Crystallography, Computer graphics (images), 0103 physical sciences, Data file, 010306 general physics, 0210 nano-technology, Diffractometer
Abstract

Data processing is the daily reality for crystallographers, who often seek to automate this repetitive task. With modern commercial diffractometers allowing for more elaborate experiments to be performed, the use of commercial software is almost unavoidable for processing data, because these are often provided in a manufacturer-specific format. This is especially the case when the intensity is recorded as a function of more than one single scanning motor and/or when recording data with a one-dimensional detector. A simple, free and open-source alternative is here presented to process the type of diffraction data recorded with the Bruker D8 diffractometer. It allows handling of data files (in uxd and brml format) corresponding to reciprocal space maps (in the Qx Qz and Qx Qy planes), temperature-dependent scans, spatial scans, sin2ψ measurements and pole figures. The program is easy to use and can be extended to any file format. It can be downloaded from https://aboulle.github.io/DxTools/.

Published
2017
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27. Product concepts for land mobile satellite communication terminals in Ku-/Ka-band

Author

Frank Klefenz, Stefano Vaccaro, Nevena Saponjic, Xavier Aubry, Daniel Llorens, Ferdinando Tiezzi, Alexandre Boulle, Frederic Bongard, and Alexander Butler

Subjects
Engineering, High data rate, business.industry, 020208 electrical & electronic engineering, Cost approach, 020206 networking & telecommunications, 02 engineering and technology, Planar antennas, 0202 electrical engineering, electronic engineering, information engineering, Communications satellite, Ka band, Mobile telephony, Product (category theory), Telecommunications, business, Realization (systems)
Abstract

The details of two product concepts and the hardware realization aspects for low profile Ku-/Ka-band land mobile terminals for high data rate satellite communications are described. Beside the competitive low cost approach, the non-obstructive design and lower weight are key issues for many applications to achieve a broad customer acceptance. The introduction of a proprietary planar antenna technology opens the possibility to meet these requirements.

Published
2017
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28. Structural and electrical properties of large area epitaxial VO 2 films grown by electron beam evaporation

Author

Aurelian Crunteanu, Amine Mennai, Alexandre Boulle, Arnaud Beaumont, Annie Bessaudou, Richard Mayet, Virginie Théry, Marc Fabert, Jean-Christophe Orlianges, Françoise Cosset, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), RF-ELITE : RF-Electronique Imprimée pour les Télécommunications et l'Energie (XLIM-RFEI), XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Institut de biologie et chimie des protéines [Lyon] (IBCP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Tampere University of Technology [Tampere] (TUT), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Photonique Fibre et Sources Cohérentes (XLIM-PHOT), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)

Subjects
010302 applied physics, Diffraction, Materials science, business.industry, Annealing (metallurgy), General Physics and Astronomy, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Epitaxy, 01 natural sciences, Electron beam physical vapor deposition, Mosaicity, [SPI.MAT]Engineering Sciences [physics]/Materials, Crystallography, Electrical resistivity and conductivity, 0103 physical sciences, Sapphire, Optoelectronics, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, 0210 nano-technology, business, Stoichiometry
Abstract

International audience; Large area (up to 4 squared inches) epitaxial VO 2 films, with a uniform thickness and exhibiting an abrupt metal-insulator transition with a resistivity ratio as high as 2.85 × 10 4 have been grown on (001)-oriented sapphire substrates by electron beam evaporation. The lattice distortions (mosaicity) and the level of strain in the films have been assessed by X-ray diffraction. It is demonstrated that the films grow in a domain-matching mode where distortions are confined close to the interface which allows to grow high-quality materials despite the high film-substrate lattice mismatch. It is further shown that a post-deposition high-temperature oxygen annealing step is crucial to ensure the correct film stoichiometry and provide the best structural and electrical properties. Alternatively, it is possible to obtain high quality films with an RF discharge during deposition, which hence do not require the additional annealing step. Such films exhibit similar electrical properties and only slightly degraded structural properties.

Published
2017
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29. Implantation of high concentration noble gases in cubic zirconia and silicon carbide: A contrasted radiation tolerance

Author

Gihan Velisa, Lionel Thomé, Jacek Jagielski, Alexandre Boulle, Laetitia Vincent, Dan Pantelica, Aurélien Debelle, and Stamatis Mylonas

Subjects
Nuclear and High Energy Physics, Materials science, Annealing (metallurgy), Metallurgy, Noble gas, Recrystallization (metallurgy), Microstructure, Ion, chemistry.chemical_compound, Atomic radius, Nuclear Energy and Engineering, chemistry, Silicon carbide, General Materials Science, Cubic zirconia, Composite material
Abstract

The modifications of the microstructure of yttria-stabilized cubic zirconia and silicon carbide single crystals implanted with high concentrations of noble gas ions and subsequently annealed at high temperature were characterized using RBS/C, XRD and TEM. It is found that the annealing behavior is strongly dependent on both the material and the implanted noble gases. Ar-implanted yttria-stabilized zirconia shows no significant microstructural modification upon annealing at 800 °C, e.g. dislocations are still present and the size of the Ar bubbles does not evolve. This is in strong contrast with previous observations on helium-implanted zirconia, where the formation of bubbles and elongated fractures were observed. In the case of SiC, thermal annealing at 1000 °C shows an enhanced damage recovery when He is implanted as compared to Ar implantation and the recrystallization of the matrix is accompanied with the release of noble gas atoms. This difference can be ascribed to different atomic radii, and thus mobility of implanted species.

Published
2014
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30. Determination of strain and damage profiles in irradiated materials: Application to cubic zirconia irradiated at high temperature

Author

Alexandre Boulle, Aurélien Debelle, Jayanth Channagiri, Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)

Subjects
Diffraction, Nuclear and High Energy Physics, Materials science, Strain (chemistry), Analytical chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Fluence, Ion, Crystallography, Irradiated materials, X-ray crystallography, Cubic zirconia, Irradiation, Instrumentation
Abstract

International audience; A methodology is presented that allows to retrieve strain and damage profiles in irradiated single crystals. The approach makes use of high-resolution X-ray diffraction q-2q scans coupled with numerical simulations of the diffraction profiles. The potential of the method is illustrated with Cubic yttria-stabilized zirconia single crystals, irradiated with 4 MeV Au 2+ ions at different temperatures (25, 500 and 800°C). The simulations reveal that upon increasing ion fluence, the width of the damaged region increases and both the strain and damage levels inside this region increase. The damage build-up occurs according to a two-step mechanism: in the first step, the damage increases slowly up to a critical fluence, above which the second step takes place and is characterized by dramatic increase of the damage. The transition fluence is shifted towards lower values at higher temperatures.

Published
2014
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31. Effect of temperature on Xe implantation-induced damage in 4H-SiC

Author

C. Jiang, M. F. Beaufort, Alexandre Boulle, J. F. Barbot, Alain Declémy, Institut Pprime (PPRIME), Université de Poitiers-ENSMA-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, History, Materials science, Strain (chemistry), [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, Activation energy, 021001 nanoscience & nanotechnology, 01 natural sciences, Crystallographic defect, Computer Science Applications, Education, 0103 physical sciences, Impact model, medicine, Ion distribution, Composite material, Swelling, medicine.symptom, 0210 nano-technology
Abstract

Damage formation in implanted 4H-SiC was studied as a function of dose and temperature of implantation. At RT the maximal strain as well as the surface swelling linearly increases suggesting a point defects swelling. With increasing temperature the slope decreases due to irradiation-induced dynamic recovery with activation energy of 0.13±0.02eV. From 300°C the amorphisation is avoided and the strain build-up can be fitted according to a direct impact model. At 300°C the as-induced strain profile consists of three different zones of damage with depth, resulting from the damage accumulation in the near surface region, the formation of Xe-vacancy complexes in the ion distribution and beyond a zone of end-of-range strain associated with interstitial accumulation.

Published
2019
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32. Randomly organized and self-assembled Na0.5Bi0.5TiO3 nanodots elaborated by sol–gel and pulsed laser deposition routes

Author

Jean-René Duclere, Florian Jean, Stéphanie Députier, Alexandre Boulle, Maryline Guilloux-Viry, Fabien Remondiere, Valérie Coudert, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Axe 1 : procédés céramiques, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Pulsed laser deposition, Nanotechnology, 02 engineering and technology, Epitaxy, 01 natural sciences, law.invention, law, 0103 physical sciences, General Materials Science, Lead-free ferroelectric, 010302 applied physics, Sol-gel, Laser ablation, business.industry, Mechanical Engineering, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Laser, Na0.5Bi0.5TiO3, Nanodots, Mechanics of Materials, Sapphire, Optoelectronics, Nanodot, 0210 nano-technology, business, Single crystal, Deposition (chemistry)
Abstract

International audience; This work reports for the first time on the elaboration, by both chemical (sol-gel) and physical (pulsed laser deposition) routes, of lead-free ferroelectric Na0.5Bi0.5TiO3 nanodots deposited on bare c-sapphire single crystal substrates presenting a 5° miscut angle along the [110] direction. Prior to any deposition, the sapphire substrates were treated at 1350 °C, during 24 h in air, in order to increase the height of the surface steps, reaching by this way ~8 nm. The experimental parameters adjusted for the growth of Na0.5Bi0.5TiO3 dots were the concentration of sols and the number of laser pulses (50 and 100) for the sol-gel and pulsed laser deposition routes, respectively. Whereas the sol-gel route leads to randomly organized Na0.5Bi0.5TiO3 nanodots in respect to the surface steps, the pulsed laser deposition route provokes the self-assembly for some important proportion of these dots along the same surface steps. Despite the lack of organization for the sol-gel dots, the latter present a much more regular distribution in size (~100 and ~10-20 nm as an average lateral dimensions and height, respectively) compared to dots deposited by laser ablation, where three different populations of grains can be observed. In each case, the dots do not seem to be epitaxially grown.

Published
2013
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33. Role of thermal strain in the metal-insulator and structural phase transition of epitaxialVO2films

Author

Jean-Christophe Orlianges, Arnaud Beaumont, Aurelian Crunteanu, R. Mayet, Virginie Théry, Amine Mennai, Marc Fabert, Françoise Cosset, Annie Bessaudou, Alexandre Boulle, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), RF-ELITE : RF-Electronique Imprimée pour les Télécommunications et l'Energie (XLIM-RFEI), XLIM (XLIM), Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Axe 2 : procédés de traitements de surface, Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Photonique Fibre et Sources Cohérentes (XLIM-PHOT), Labex SigmaLim Contract No. ANR-10-LABX- 624 0074-01Region Limousin (France) for funding V.T.'s Ph.D. Thesis (Grant No. RCD1414L), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Institut de biologie et chimie des protéines [Lyon] (IBCP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), and Tampere University of Technology [Tampere] (TUT)

Subjects
Materials science, Condensed matter physics, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, Atmospheric temperature range, 021001 nanoscience & nanotechnology, Epitaxy, 01 natural sciences, Thermal expansion, [SPI.MAT]Engineering Sciences [physics]/Materials, Condensed Matter::Materials Science, Rutile, Electrical resistivity and conductivity, Lattice (order), 0103 physical sciences, Sapphire, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, 010306 general physics, 0210 nano-technology, Monoclinic crystal system
Abstract

The metal-insulator switching characteristics of ${\mathrm{VO}}_{2}$ play a crucial role in the performances of ${\mathrm{VO}}_{2}$-based devices. In this paper we study high-quality (010)-oriented epitaxial films grown on (001) sapphire substrates by means of electron-beam evaporation and investigate the role of interface defects and thermal strain on the parallel evolution of the metal-insulator transition (MIT) and structural phase transition (SPT) between the monoclinic (insulator) and rutile (metal) phases. It is demonstrated that the highly-mismatched ${\mathrm{VO}}_{2}/{\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ interface promotes a domain-matching epitaxial growth process where the film grows in a strain-relaxed state and the lattice distortions are confined at the interface in regions with limited spatial extent. Upon cooling down from the growth temperature, tensile strain is stored in the films as a consequence of the thermal expansion mismatch between ${\mathrm{VO}}_{2}$ and ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}$. The thinnest films exhibit the highest level of tensile strain in the interfacial plane resulting in a shift of both the MIT and the SPT temperatures towards higher values, pointing to a stabilization of the monoclinic/insulating phase. Concomitantly, the electrical switching characteristics are altered (lower resistivity ratio and broader transition) as a result of the presence of structural defects located at the interface. The SPT exhibits a similar evolution with, additionally, a broader hysteresis due to the formation of an intermediate, strain-stabilized phase in the M1-R transition. Films with thickness ranging between 100--300 nm undergo a partial strain relaxation and exhibit the best performances, with a sharp ($10{\phantom{\rule{0.16em}{0ex}}}^{\ensuremath{\circ}}\mathrm{C}$ temperature range) and narrow (hysteresis $l4{\phantom{\rule{0.16em}{0ex}}}^{\ensuremath{\circ}}\mathrm{C}$) MIT extending over more than four orders of magnitude in resistivity $(6\ifmmode\times\else\texttimes\fi{}{10}^{4})$.

Published
2016
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34. RaDMaX: a graphical program for the determination of strain and damage profiles in irradiated crystals

Author

M. Souilah, Aurélien Debelle, Alexandre Boulle, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM)

Subjects
Diffraction, Materials science, 02 engineering and technology, 01 natural sciences, Least squares, General Biochemistry, Genetics and Molecular Biology, [SPI.MAT]Engineering Sciences [physics]/Materials, computer program, X-ray diffraction, Irradiation, Strain gradients, Damage gradients, Optics, computer program, 0103 physical sciences, Radiation damage, 010302 applied physics, Computer program, Strain (chemistry), business.industry, Experimental data, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Strain gradients, Damage gradients, Computational physics, X-ray diffraction, X-ray crystallography, Simulated annealing, Irradiation, 0210 nano-technology, business, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

RaDMaX(radiation damage in materials analysed with X-ray diffraction) is a user-friendly graphical program that allows the determination of strain and damage depth profiles in ion-irradiated crystals. This task is achieved by fitting experimental X-ray diffraction data, recorded in symmetrical θ–2θ geometry, with a dynamical diffraction model parametrized with variable strain and damage profiles based onB-spline functions. The strain and damage profiles can be graphically manipulated so as to fit the calculated curve to the experimental data. Automatic fitting procedures (generalized simulated annealing and conventional least squares) are also implemented.RaDMaXis free and open source (CeCILL licence) and can be downloaded from http://aboulle.github.io/RaDMaX.

Published
2016
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35. Strain profiles in ion implanted ceramic polycrystals: a new approach based on reciprocal-space crystal selection

Author

Georges Martin, J. Fouet, Alexandre Boulle, François Rieutord, C. Onofri, Philippe Goudeau, V. Favre-Nicolin, Nils Blanc, H. Palancher, Département d'Etudes des Combustibles (DEC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut Pprime (PPRIME), Université de Poitiers-ENSMA-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM), Nanostructures et Rayonnement Synchrotron (NRS ), Modélisation et Exploration des Matériaux (MEM), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Service de Physique des Matériaux et Microstructures (SP2M - UMR 9002), Institut Nanosciences et Cryogénie (INAC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), CRG et Grands Instruments (CRG ), Institut Néel (NEEL), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Centre d'élaboration de matériaux et d'études structurales (CEMES), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), CRG & Grands instruments (NEEL - CRG), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), CEA-Direction de l'Energie Nucléaire (CEA-DEN), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de métallurgie physique (LMP), Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers, Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM), Nanostructures et Rayonnement Synchrotron (NRS), Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'Énergie Atomique et aux Énergies Alternatives (CEA) - Grenoble, Centre d'Études et de Recherches par Irradiation (CERI), and Centre National de la Recherche Scientifique (CNRS)

Subjects
Diffraction, X-Ray-Diffraction, Silicon, Materials science, Physics and Astronomy (miscellaneous), 02 engineering and technology, 01 natural sciences, law.invention, [SPI.MAT]Engineering Sciences [physics]/Materials, Crystal, Mechanical-Behavior, law, 0103 physical sciences, Ceramic, Anisotropy, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, Condensed matter physics, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Synchrotron, Reciprocal lattice, Crystallography, Single-Crystals, Ion implantation, visual_art, visual_art.visual_art_medium, Crystallite, Uranium-Dioxide, 0210 nano-technology
Abstract

International audience; The determination of the state of strain in implanted materials is a key issue in the study of their mechanical stability. Whereas this question is nowadays relatively easily solved in the case of single crystals, it remains a challenging task in the case of polycrystalline materials. In this paper, we take benefit of the intense and parallel beams provided by third generation synchrotron sources combined with a two-dimensional detection system to analyze individual grains in polycrystals, hence obtaining “single crystal-like” data. The feasibility of the approach is demonstrated with implanted UO2 polycrystals where the in-depth strain profile is extracted for individual grains using numerical simulations of the diffracted signal. The influence of the implantation dose is precisely analyzed for several diffracting planes and grains. This work suggests that, at low fluences, the development of strain is mainly due to ballistic effects with little effect from He ions, independently from the crystallographic orientation. At higher fluences, the evolution of the strain profiles suggests a partial and anisotropic plastic relaxation. With the present approach, robust and reliable structural information can be obtained, even from complex polycrystalline ceramic materials.

Published
2016
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36. Statistical Nature of Atomic Disorder in Irradiated Crystals

Author

Alexandre Boulle, Aurélien Debelle, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), and Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)

Subjects
010302 applied physics, Diffraction, Range (particle radiation), Materials science, Gaussian, General Physics and Astronomy, 02 engineering and technology, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Displacement (vector), Crystal, symbols.namesake, Molecular dynamics, 0103 physical sciences, symbols, Irradiation, 0210 nano-technology, Dimensionless quantity
Abstract

International audience; Atomic disorder in irradiated materials is investigated by means of X-ray diffraction (XRD), using cubic SiC single crystals as a model material. It is shown that, besides the determination of depth-resolved strain and damage profiles, XRD can be efficiently used to determine the probability density function (pdf) of the atomic displacements within the crystal. This task is achieved by analyzing the diffraction-order dependence of the damage profiles. We thereby demonstrate that atomic displacements undergo Lévy flights, with a displacement pdf exhibiting heavy tails (with a tail index in the γ = 0.73-0.37 range, i.e. far from the commonly assumed Gaussian case (γ = 2)). It is further demonstrated that these heavy tails are crucial to account for the amorphization kinetics in SiC. From the retrieved displacement pdfs we introduce a dimensionless parameter, f D XRD , to quantify the disordering. f D XRD is found to be consistent with both independent measurements using ion channeling and with molecular dynamics calculations.

Published
2016
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37. Diffuse X-ray scattering from 180° ferroelectric stripe domains: polarization-induced strain, period disorder and wall roughness

Author

I.C. Infante, Alexandre Boulle, N. Lemée, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique de la Matière Condensée (LPMC), and Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Condensed matter physics, business.industry, Scattering, Superlattice, 02 engineering and technology, Dielectric, Surface finish, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Polarization (waves), 01 natural sciences, Ferroelectricity, General Biochemistry, Genetics and Molecular Biology, Condensed Matter::Materials Science, Optics, Electric field, 0103 physical sciences, Curie temperature, 010306 general physics, 0210 nano-technology, business
Abstract

A key element in ferroic materials is the presence of walls separating domains with different orientations of the order parameter. It is demonstrated that 180° stripe domains in ferroelectric films give rise to very distinct features in their diffuse X-ray scattering (DXS) intensity distributions. A model is developed that allows the determination of not only the domain period but also the period disorder, the thickness and roughness of the domain walls, and the strain induced by the rotation of the polarization. As an example, the model is applied to ferroelectric/paraelectric superlattices. Temperature-dependent DXS measurements reveal that the polarization-induced strain decreases dramatically with increasing temperature and vanishes at the Curie temperature. The motion of ferroelectric domain walls appears to be a collective process that does not create any disorder in the domain period, whereas pinning by structural defects increases the wall roughness. This work will facilitatein situquantitative studies of ferroic domains and domain wall dynamics under the application of external stimuli, including electric fields and temperature.

Published
2016
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38. Strain relaxation in He implanted UO 2 polycrystals under thermal treatment: an in-situ XRD study

Author

Thierry Sauvage, H. Palancher, Georges Martin, J. Raynal, A. Richard, G. Carlot, C. Onofri, Renaud C. Belin, C. Sabathier, R. Kachnaoui, François Rieutord, Alexandre Boulle, Ph. Goudeau, Antoine Ambard, H. Rouquette, Pierre Desgardin, J.-C. Richaud, Département d'Etudes des Combustibles (DEC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), CEA Cadarache, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut Pprime (PPRIME), Université de Poitiers-ENSMA-Centre National de la Recherche Scientifique (CNRS), IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Modélisation Multi-échelles des Combustibles (LM2C), Service d'Etudes de Simulation du Comportement du combustibles (SESC), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Département d'Etudes des Combustibles (DEC), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Nanostructures et Rayonnement Synchrotron (NRS ), Modélisation et Exploration des Matériaux (MEM), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Matériaux et Mécanique des Composants (EDF R&D MMC), EDF R&D (EDF R&D), EDF (EDF)-EDF (EDF), ENSMA-Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers, Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])

Subjects
X-Ray-Diffraction, Nuclear and High Energy Physics, Materials science, XRD, Thermal recovery, Uranium dioxide, Analytical chemistry, Pellets, Thermophysical Properties, 02 engineering and technology, Thermal treatment, 01 natural sciences, Ion, chemistry.chemical_compound, 0103 physical sciences, General Materials Science, Alpha decay, 010302 applied physics, Strain (chemistry), Doping, Spent Fuel, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Single-Crystals, Nuclear Energy and Engineering, chemistry, Lattice-Defects, X-ray crystallography, Free swelling, Relaxation (physics), Uranium-Dioxide, 0210 nano-technology, Nuclear chemistry
Abstract

International audience; Within the frame of the long-term evolution of spent nuclear fuel in dry disposal, the behavior of He in UO2 polycrystals has to be studied. Here, strain relaxation in He implanted samples has been characterized using in situ X-ray diffraction during thermal annealing. The influence of a wide range of experimental parameters (annealing atmosphere, He ion energy, orientation of the UO2 grains probed by X-rays) has been evaluated. If each of them contributes to the strain relaxation kinetics in the implanted layer, strain relaxation is not completed for temperatures below 900 °C which is equivalent to what has been found on He implanted UO2 single crystals, or aged UO2 pellets doped with α-emitters. In the case of implantation with 500 keV He ions, we clearly show that strain relaxation and He release are not correlated for temperatures below 750 °C.

Published
2016
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39. X-ray study of antiphase domains and their stability in MBE grown GaP on Si

Author

Alexandre Boulle, Nicolas Chevalier, Antoine Létoublon, Nicolas Bertru, Olivier Dehaese, Charles Cornet, Olivier Durand, M. Veron, Tony Rohel, Weiming Guo, A. Le Corre, Alexandre Bondi, Fonctions Optiques pour les Technologies de l'informatiON (FOTON), Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-École Nationale Supérieure des Sciences Appliquées et de Technologie (ENSSAT)-Télécom Bretagne, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Science et Ingénierie des Matériaux et Procédés (SIMaP), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National Polytechnique de Grenoble (INPG)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-École Nationale Supérieure des Sciences Appliquées et de Technologie (ENSSAT)-Télécom Bretagne-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, Silicon, business.industry, Atomic force microscopy, X-ray, chemistry.chemical_element, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, Si substrate, Transmission electron microscopy, 0103 physical sciences, Gallium phosphide, Materials Chemistry, Optoelectronics, 0210 nano-technology, business, Molecular beam epitaxy
Abstract

International audience; 90 and 20 nm thick GaP layers on Si substrate grown by various MBE growth modes are studied. A complete analysis is performed using AFM, TEM imaging and X-ray diffraction giving crucial information on structural defects properties and here particularly on antiphase domains. Thermodynamic evolution of antiphase boundaries is then discussed.

Published
2011
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40. Nondestructive Evaluation of Photo-Electrical Properties of 3C-SiC (111) Homoepitaxial Layers Grown by CVD

Author

Gabriel Ferro, Kęstutis Jarašiūnas, Veronique Soulière, Jean Lorenzzi, Georgios Manolis, Deborah Dompoint, Nikoletta Jegenyes, Alexandre Boulle, Laboratoire des Multimatériaux et Interfaces (LMI), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Applied Physics, Vilnius University [Vilnius], Axe 3 : organisation structurale multiéchelle des matériaux, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), E.V. Monakhov, T. Hornos, and B.G. Svensson

Subjects
Chemical vapour deposition, Materials science, lightn induced transient grating technique, bipolar diffusion, 02 engineering and technology, Grating, 01 natural sciences, Nondestructive testing, 0103 physical sciences, General Materials Science, Free carrier absorption, 3C-SiC, 010302 applied physics, free carroer absorption, carrier lifetime, business.industry, Mechanical Engineering, Doping, Carrier lifetime, 021001 nanoscience & nanotechnology, Condensed Matter Physics, mobility, homoepitaxy, Mechanics of Materials, Picosecond, Optoelectronics, Transient (oscillation), 0210 nano-technology, business
Abstract

International audience; Free carrier absorption (FCA) and picosecond light-induced transient grating (LITG) techniques were applied to study the photoelectrical properties of 3C-SiC(111) homoepitaxial layers grown by CVD method on VLS (vapour-liquid-solid) grown seeds. The thickness of the CVD layers was ~10.5 µm with non-intentional type doping of n (~ 1017 cm-3) or p (

Published
2011
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41. Nanostructured sapphire vicinal surfaces as templates for the growth of self-organized oxide nanostructures

Author

Wael Hamd, David Babonneau, Elsa Thune, Alexandre Boulle, Frédéric Pailloux, René Guinebretière, Axe 3 : organisation structurale multiéchelle des matériaux, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de métallurgie physique (LMP), and Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers

Subjects
HRTEM, Materials science, General Physics and Astronomy, 02 engineering and technology, Thermal treatment, Substrate (electronics), Epitaxy, 01 natural sciences, 0103 physical sciences, Self-organized oxide nanostructure, Thin film, High-resolution transmission electron microscopy, GISAXS, 010302 applied physics, business.industry, Sapphire vicinal surfaces, Surfaces and Interfaces, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Surfaces, Coatings and Films, Crystallography, Sapphire, Grazing-incidence small-angle scattering, Optoelectronics, AFM, 0210 nano-technology, business, Vicinal
Abstract

International audience; Vicinal substrates of sapphire with miscut angle of 108 from the (0 0 1) planes towards the [1 1 0] direction have been annealed in air in the range from 1000 to 1500 8C. The behaviour of these surfaces has been characterized as a function of the temperature and the thermal treatment time by Atomic Force Microscopy observations. A thermal treatment at 1250 8C allows to stabilize a surface made of periodically spaced nanosized step-bunches. Such stepped surfaces were used as template to grow selfpatterned epitaxial oxide nanoparticles by thermal annealing of yttria-stabilized zirconia thin films produced by sol–gel dip-coating. Grazing Incidence Small Angle X-ray Scattering and High-Resolution Transmission Electron Microscopy were used to study the morphology of the nanoparticles and their epitaxial relationships with the substrate.

Published
2009
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42. Strain profiles in thin films: influence of a coherently diffracting substrate and thickness fluctuations

Author

Florine Conchon, René Guinebretière, Alexandre Boulle, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Institut Pprime (PPRIME), ENSMA-Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers, Axe 3 : organisation structurale multiéchelle des matériaux, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Poitiers-ENSMA-Centre National de la Recherche Scientifique (CNRS)

Subjects
Diffraction, Materials science, 02 engineering and technology, Substrate (electronics), Curvature, Epitaxy, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, Condensed Matter::Materials Science, Optics, 0103 physical sciences, strain profiles, Vertical displacement, Thin film, 010302 applied physics, Smoothness (probability theory), Strain (chemistry), Condensed matter physics, business.industry, high-resolution X-ray diffraction, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, thin films, 0210 nano-technology, business
Abstract

A simple least-squares fitting-based method is described for the determination of strain profiles in epitaxial films using high-resolution X-ray diffraction. The method is model-independent,i.e.it does not require any `guess' model for the shape of the strain profile. The shape of the vertical displacement profile is modelled using the versatile cubicB-spline functions, which puts smoothness and curvature constraints on the fitting procedure. The effect of a coherently diffracting substrate is taken into account as well as the effects of film thickness fluctuations. The model is applied to the determination of strain profiles in SmNiO3films epitaxically grown on SrTiO3(001) substrates. The shape of the retrieved strain profile is discussed in terms of oxygen vacancies.

Published
2008
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43. Influence of strain relaxation on the structural stabilization of SmNiO3 films epitaxially grown on (001) SrTiO3 substrates

Author

Jean-Louis Hodeau, Cécile Girardot, Eric Dooryhee, Jens Kreisel, François Weiss, Florine Conchon, René Guinebretière, S. Pignard, Alexandre Boulle, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux, Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Laboratoire des matériaux et du génie physique (LMGP ), Institut National Polytechnique de Grenoble (INPG)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Matériaux, Rayonnements, Structure (MRS), Institut Néel (NEEL), and Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, rare-earth nickelates films, Materials science, Mechanical Engineering, Non-blocking I/O, strain relaxation, Analytical chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Epitaxy, 01 natural sciences, Dissociation (chemistry), Crystallography, Lattice constant, x-ray diffraction, Mechanics of Materials, 0103 physical sciences, X-ray crystallography, General Materials Science, Nanometre, 0210 nano-technology, Chemical composition
Abstract

The structural stabilization of SmNiO3 (SNO) films epitaxially grown by an injection MO-CVD process on (0 0 1) SrTiO3 (STO) substrates is investigated. Using high-resolution X-ray diffraction (XRD), we show that SNO can be stabilized on STO with a minor amount of secondary phases and with a layer thickness reaching several hundreds of nanometers. The film quality is discussed by means of the simulation of X-ray reflectivity and XRD profiles that evidence smooth surfaces and interfaces. The actual lattice parameter of bulk (i.e. strain free) SNO is calculated as a function of the deposited thickness. It turns out firstly that the stabilization of SNO is achieved because the lattice mismatch between STO and SNO is not as high as expected (1.6% instead of 2.8%) and secondly the layer chemical composition varies with the film thickness. Finally, the well-known dissociation of the SNO phase into NiO and Sm2O3 is clearly correlated to the relaxation of epitaxial strain.

Published
2007
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44. Two-dimensional versus three-dimensional post-deposition grain growth in epitaxial oxide thin films

Author

Bernard Soulestin, René Guinebretière, A. Dauger, Fabrice Rossignol, Romain Bachelet, and Alexandre Boulle

Subjects
010302 applied physics, Materials science, Metals and Alloys, Crystal growth, 02 engineering and technology, Surfaces and Interfaces, Surface finish, Island growth, 021001 nanoscience & nanotechnology, Epitaxy, 01 natural sciences, Dip-coating, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Surface coating, Crystallography, Grain growth, 0103 physical sciences, Materials Chemistry, Composite material, Thin film, 0210 nano-technology
Abstract

Epitaxial thin films made of nanosized yttria-stabilized zirconia islands deposited on (0001) sapphire substrates are synthesized by sol–gel dip-coating followed by a high-temperature post-deposition thermal annealing procedure. At high temperatures, a competitive growth process takes place that allows to obtain thin films made of atomically flat islands with an in-plane diameter typically ten times higher than the thickness or on the contrary inducing the formation of dome-shaped islands. Apart from having a different shape, these islands are also characterized by a different crystallographic orientation with respect to the substrates respectively (001) and (111). In this paper, we investigate the influence of the substrate surface roughness on this competitive grain growth process. The deposition on epi-polished substrates results in a two-dimensional (2D) island growth, whereas the deposition on rough substrates results in a three-dimensional (3D) growth of dome-shaped nanosized islands. The films have been characterized by atomic force microscopy and high-resolution X-ray diffraction using the reciprocal space mapping technique.

Published
2007
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45. Diffuse X-ray scattering from ion-irradiated materials: A parallel-computing approach

Author

Alexandre Boulle, Aurélien Debelle, Jayanth Channagiri, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), and Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11)

Subjects
Materials science, business.industry, Scattering, Monte Carlo method, Fast Fourier transform, [CHIM.MATE]Chemical Sciences/Material chemistry, General Biochemistry, Genetics and Molecular Biology, Ion, Computational physics, Crystal, Reciprocal lattice, Optics, Displacement field, business, Single crystal
Abstract

A computational method for the evaluation of the two-dimensional diffuse X-ray scattering distribution from irradiated single crystals is presented. A Monte Carlo approach is used to generate the displacement field in the damaged crystal. This step makes use of vector programming and multiprocessing to accelerate the computation. Reciprocal space maps are then computed using GPU-accelerated fast Fourier transforms. It is shown that this procedure speeds up the calculation by a factor of ∼190 for a crystal containing 109unit cells. The potential of the method is illustrated with two examples: the diffuse scattering from a single crystal containing (i) a non-uniform defect depth distribution (with a potentially bimodal defect size distribution) and (ii) spatially correlated defects exhibiting either long-range or short-range ordering with varying positional disorder.

Published
2015
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46. Polarization Rotation in Ferroelectric Tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 Superlattices

Author

Nils Blanc, Alexandre Boulle, Nathalie Boudet, Ingrid C. Infante, Cécile Hubault, M. G. Karkut, Valérie Demange, N. Lemée, Laboratoire de Physique de la Matière Condensée - UR UPJV 2081 (LPMC), Université de Picardie Jules Verne (UPJV), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM), CRG et Grands Instruments (CRG), Institut Néel (NEEL), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux, Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CRG & Grands instruments (NEEL - CRG), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and DERORY, BEATRICE

Subjects
Diffraction, pb(zr, Materials science, Superlattice, 02 engineering and technology, Dielectric, [SPI.MAT] Engineering Sciences [physics]/Materials, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, strain and interface effects, domain structure, 0103 physical sciences, ferroelectric materials, [CHIM]Chemical Sciences, General Materials Science, 010306 general physics, ComputingMilieux_MISCELLANEOUS, epitaxial and superlattice film, [CHIM.MATE] Chemical Sciences/Material chemistry, Condensed matter physics, ti)o3-based films, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Polarization (waves), Piezoelectricity, Ferroelectricity, Crystallography, Reciprocal lattice, 0210 nano-technology, Monoclinic crystal system
Abstract

International audience; In ferroelectric thin films, controlling the orientation of the polarization is a key element to controlling their physical properties. We use laboratory and synchrotron X-ray diffraction to investigate ferroelectric bicolor PbTiO3/PbZr0.2Ti0.8O3 and tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 superlattices and to study the role of the SrTiO3 layers on the domain structure. In the tricolor superlattices, we demonstrate the existence of 180° ferroelectric stripe nanodomains, induced by the depolarization field produced by the SrTiO3 layers. Each ultrathin SrTiO3 layer modifies the electrostatic boundary conditions between the ferroelectric layers compared to the corresponding bicolor structures, leading to the suppression of the a/c polydomain states. Combined with the electrostatic effect, the tensile strain induced by PbZr0.2Ti0.8O3 in the PbTiO3 layers leads to polarization rotation in the system as evidenced by grazing incidence X-ray measurements. This polarization rotation is associated with the monoclinic Mc phase as revealed by the splitting of the (HHL) and (H0L) reciprocal lattice points. This work demonstrates that the tricolor paraelectric/ferroelectric superlattices constitute a tunable system to investigate the concomitant effects of strains and depolarizing fields. Our studies provide a pathway to stabilize a monoclinic symmetry in ferroelectric layers, which is of particular interest for the enhancement of the piezoelectric properties.

Published
2015
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47. Mechanical response of UO2 single crystals submitted to low-energy ion irradiation

Author

Alexandre Boulle, Lionel Thomé, Frédérico Garrido, Valérie Demange, Tien-Hien Nguyen, Aurélien Debelle, Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM PCI), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Saclay-Univ. Paris-Sud, Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), We are grateful to the Semiramis staff for their help during irradiations. One of us (T.H. Nguyen) acknowledges the Ecole Doctorale MIPEGE at the Université Paris-Sud for financial support during his PhD thesis., Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)

Subjects
Diffraction, Nuclear and High Energy Physics, Materials science, XRD, elastic strain, 61.80.Jh, 62.20.D, 02 engineering and technology, UO2, 01 natural sciences, Fluence, Ion, Lattice constant, 0103 physical sciences, [CHIM]Chemical Sciences, General Materials Science, Irradiation, Composite material, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], 010306 general physics, PACS, [PHYS]Physics [physics], Range (particle radiation), Strain (chemistry), Relaxation (NMR), 021001 nanoscience & nanotechnology, Crystallography, 61.05.cp, Nuclear Energy and Engineering, 61.72.J, 61.72.Dd, radiation effects, Defects, 0210 nano-technology
Abstract

International audience; {111}- and {100}-oriented UO2 single crystals were irradiated with 500-keV Ce3+ ions in the 1014 - 9x1014 cm-2 fluence range. The irradiation-induced strain was monitored using high-resolution X-ray diffraction. A mechanical modelling dedicated to thin irradiated layers was applied to account for the reaction of the unirradiated part of the crystals. The elastic strain, which is confined along the surface normal of the samples, increases with ion fluence until it is dramatically relieved. This behaviour is observed for both orientations. While the measured elastic strain depends on the crystallographic direction, the strain due to irradiation defects only is found to be equal for both directions, with a maximum value of ∼0.5%. Strain relaxation takes place at the damage peak, but the in-plane lattice parameter of the irradiated layer remains unchanged and equal to that of the pristine material. Meanwhile, the strain at the damaged/pristine interface continues to increase.

Published
2015
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48. Self-organized ultrathin FePt nanowires produced by glancing-angle ion-beam codeposition on rippled alumina surfaces

Author

Alexandre Boulle, Frédéric Pailloux, Mathieu Garel, Yves Garreau, Aline Y. Ramos, Hélio C. N. Tolentino, David Babonneau, Alessandro Coati, Institut Pprime (PPRIME), Université de Poitiers-ENSMA-Centre National de la Recherche Scientifique (CNRS), Axe 3 : organisation structurale multiéchelle des matériaux (SPCTS-AXE3), Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Matériaux, Rayonnements, Structure (MRS), Institut Néel (NEEL), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS), CRG et Grands Instruments (CRG), Université de Poitiers-Centre National de la Recherche Scientifique (CNRS)-ENSMA, Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), MRS - Matériaux, Rayonnements, Structure, Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), CRG - CRG et Grands Instruments, and Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)

Subjects
010302 applied physics, Phase transition, Materials science, Ion beam, Condensed matter physics, Annealing (metallurgy), Alloy, Nanowire, Nanotechnology, 02 engineering and technology, engineering.material, 021001 nanoscience & nanotechnology, 01 natural sciences, Ferromagnetism, 0103 physical sciences, engineering, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, 0210 nano-technology, Anisotropy, Nanodevice
Abstract

International audience; Ultradense macroscopic arrays of ferromagnetic alloy nanowires exhibit unique properties that make them attractive both for basic physics studies and for prospective nanodevice applications in various areas. We report here on the production of self-organized equiatomic FePt nanowires produced by glancing-angle ion-beam codeposition on alumina nanoripple patterns at room temperature and subsequent annealing at 600 °C. This study demonstrates that periodically aligned FePt nanowires with tunable size (∼10–20 nm width and ∼0.5–10 nm height) can be successfully grown as a consequence of shadowing effects and low mobility of Fe and Pt on the rippled alumina surface. Moreover, the structure and magnetic properties of the FePt nanowires, which undergo a phase transition from a disordered A1 (soft) structure to a partially ordered L10 (hard) structure, can be modified upon annealing. We show that this behavior can be further exploited to change the effective uniaxial anisotropy of the system, which is determined by a strong interplay between the shape and magnetocrystalline anisotropies of the nanowires.

Published
2015
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49. Depth-dependent phase change in Gd2O3 epitaxial layers under ion irradiation

Author

Rytis Dargis, Andrew G. Clark, Gaël Sattonnay, N. Mejai, Alexandre Boulle, Lionel Thomé, D. Gosset, Aurélien Debelle, Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Paris-Sud - Paris 11 (UP11), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Service des Recherches Métallurgiques Appliquées (SRMA), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, IRCER - Axe 3 : organisation structurale multiéchelle des matériaux (IRCER-AXE3), Institut de Recherche sur les CERamiques (IRCER), Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Diffraction, Crystallography, Materials science, Thin layers, Physics and Astronomy (miscellaneous), Phase (matter), X-ray crystallography, Irradiation, [CHIM.MATE]Chemical Sciences/Material chemistry, Thin film, Molecular physics, Fluence, Ion
Abstract

International audience; Epitaxial Gd2O3 thin layers with the cubic structure were irradiated with 4-MeV Au 2+ ions in the 10 13-10 15 cm-2 fluence range. X-ray diffraction indicates that ion irradiation induces a cubic to monoclinic phase change. Strikingly, although the energy-deposition profile of the Au 2+ ions is constant over the layer thickness, this phase transformation is depth-dependent, as revealed by a combined X-ray diffraction and ion channeling analysis. In fact, the transition initiates very close to the surface and propagates inwards, which can be explained by an assisted migration process of irradiation-induced defects. This result is promising for developing a method to control the thickness of the rare-earth oxide crystalline phases.

Published
2015
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50. Recent advances in high-resolution X-ray diffractometry applied to nanostructured oxide thin films: The case of yttria stabilized zirconia epitaxially grown on sapphire

Author

A. Dauger, Florine Conchon, Alexandre Boulle, René Guinebretière, Olivier Masson, Romain Bachelet, Axe 3 : organisation structurale multiéchelle des matériaux, Science des Procédés Céramiques et de Traitements de Surface (SPCTS), Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Limoges (UNILIM)-Ecole Nationale Supérieure de Céramique Industrielle (ENSCI)-Institut des Procédés Appliqués aux Matériaux (IPAM), and Université de Limoges (UNILIM)-Université de Limoges (UNILIM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
010302 applied physics, Diffraction, Materials science, Condensed matter physics, business.industry, General Physics and Astronomy, 02 engineering and technology, Surfaces and Interfaces, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Dip-coating, Surfaces, Coatings and Films, Reciprocal lattice, Optics, 0103 physical sciences, Sapphire, Crystallite, Thin film, 0210 nano-technology, business, ComputingMilieux_MISCELLANEOUS, Yttria-stabilized zirconia, Diffractometer
Abstract

The investigation of nanostructured oxide thin films using high-resolution X-ray diffraction (XRD) is considered. Because of the small amount of matter deposited and significant defect densities, such oxide thin film structures can be considered as imperfect materials that require specific data acquisition and data analysis methods. Fast reciprocal space mapping is carried out using a diffractometer based on an 18 kW X-ray source, a four-reflection monochromator and a curved position sensitive detector. In order to extract quantitative information concerning the microstructure of the films, an approach is developed that combines a microscopic modelling of dimensional effects (crystallite or island shape, size and size distribution) with a phenomenological description of lattice disorder. Within this approach, simple analytical expressions or expressions implying a simple Fourier transform, can be derived for the XRD intensity distribution in the direction perpendicular to the film surface and parallel to it. Profiles exhibiting damped and/or broadened fringes and profiles exhibiting a two-component line shape can be simulated. Parameters of primary interest, such as the island thickness, thickness distribution function, island in-plane dimensions and the distribution function of the dimensions, the level of disorder, the disorder correlation length and the spatial distribution of disorder, can be extracted. The applicability of the model is illustrated with yttria stabilized zirconia films epitaxially grown on sapphire by sol–gel dip-coating.

Published
2006
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