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1. Synthèse sur surface de phthalocyanines de Mg ayant des ligands optiquement actifs

Author

Amelia Domínguez-Celorrio, Carlos Garcia-Fernandez, Sabela Quiroga, Peter Koval, Veronique Langlais, Diego Peña, Daniel Sánchez-Portal, David Serrate, Jorge Lobo-Checa, Centre d'élaboration de matériaux et d'études structurales (CEMES), 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), Instituto de Nanociencia y Materiales de Aragón (INMA), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC)-Universidad de Zaragossa, Centro de Fisica de Materiales (CFM), Universidad del Pais Vasco / Euskal Herriko Unibertsitatea [Espagne] (UPV/EHU)-Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Donostia International Physics Center (DIPC), University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Centro de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS ), Universidade de Santiago de Compostela [Spain] (USC ), Simune Atomistics, University of Zaragoza - Universidad de Zaragoza [Zaragoza], Laboratorio de microscopias avanzadas (LMA), European Project: Grant No 863098,SPRING, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Ministerio de Economía, Industria y Competitividad (España), Ministerio de Economía y Competitividad (España), European Commission, Consejo Superior de Investigaciones Científicas (España), CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI), Gobierno de Aragón, Interreg POCTEFA, Eusko Jaurlaritza, and Xunta de Galicia

Subjects
[PHYS]Physics [physics], Technology, Science & Technology, Chemistry, Multidisciplinary, Physics, Materials Science, Materials Science, Multidisciplinary, Physics, Applied, Chemistry, DIARYLETHENES, SPIN, Physical Sciences, TIP, Science & Technology - Other Topics, [CHIM]Chemical Sciences, General Materials Science, PORPHYRINS, Nanoscience & Nanotechnology, MAGNETIC-ANISOTROPY, ORBITALS
Abstract

The synthesis of novel organic prototypes combining different functionalities is key to achieve operational elements for applications in organic electronics. Here we set the stage towards individually addressable magneto-optical transducers by the on-surface synthesis of optically active manganese-phthalocyanine derivatives (MnPc) obtained directly on a metallic substrate. We created these 2D nanostructures under ultra-high vacuum conditions with atomic precision starting from a simple phthalonitrile precursor with reversible photo-induced reactivity in solution. These precursors maintain their integrity after powder sublimation and coordinate with the Mn ions into tetrameric complexes and then transform into MnPcs on Ag(111) after a cyclotetramerization reaction. Using scanning tunnelling microscopy and spectroscopy together with DFT calculations, we identify the isomeric configuration of two bi-stable structures and show that it is possible to switch them reversibly by mechanical manipulation. Moreover, the robust magnetic moment brought by the central Mn ion provides a feasible pathway towards magneto-optical transducer fabrication. This work should trigger further research confirming such magneto-optical effects in MnPcs both on surfaces and in liquid environments., We gratefully acknowledge financial support from the Spanish Ministries of Economy, Industry and Competitiveness (MINECO, grants MAT2016-78293-C6-4-R and MAT2016-78293-C6-6) and of Science and Innovation (MICINN, grant no. PID2019-107338RB-C62, PID2019-107338RB-C64, PID2019-107338RB-C66/AEI/10.13039/501100011033 and RED2018-102833-T), the regional Governments of Aragon (E13-20R and E12-20R), the Xunta de Galicia (Centro de Investigación de Galicia acreditation 2019–2022, ED431G 2019/03), the Dept. of Education of the Basque Government and UPV/EHU (grant no. IT1246-19), the Spanish Research Agency (AEI), the European Regional Development Fund (ERDF) under the program Interreg V-A España-Francia-Andorra (contract no. EFA194/16 TNSI) and the European Union through Horizon 2020 (FET-Open project SPRING grant. no. 863098)., We acknowledge support of the publication fee by the CSIC Open Access Publication Support Initiative through its Unit of Information Resources for Research (URICI).

Published
2022
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2. Electronic transport in planar atomic-scale structures measured by two-probe scanning tunneling spectroscopy

Author

Hiroyo Kawai, Marek Szymonski, Rafal Zuzak, Daniel Sánchez-Portal, Thomas Frederiksen, Marek Kolmer, Szymon Godlewski, Nicolás Lorente, Aran Garcia-Lekue, Christian Joachim, Pedro Brandimarte, Jakub Lis, Centre for Nanometer-Scale Science and Advanced Materials (NANOAM), Uniwersytet Jagielloński w Krakowie = Jagiellonian University (UJ), Center for Nanophase Materials Sciences [Oak Ridge] (CNMS), Oak Ridge National Laboratory [Oak Ridge] (ORNL), UT-Battelle, LLC-UT-Battelle, LLC, Donostia International Physics Center (DIPC), University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Agency for science, technology and research [Singapore] (A*STAR), Donostia International Physics Center - DIPC (SPAIN), University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU)-University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Ikerbasque - Basque Foundation for Science, Sciences Economiques et Sociales de la Santé & Traitement de l'Information Médicale (SESSTIM - U1252 INSERM - Aix Marseille Univ - UMR 259 IRD), Institut de Recherche pour le Développement (IRD)-Aix Marseille Université (AMU)-Institut National de la Santé et de la Recherche Médicale (INSERM), Groupe NanoSciences (CEMES-GNS), Centre d'élaboration de matériaux et d'études structurales (CEMES), 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)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Center of Materials Physics CSIC-UPV / EHU and Donostia International Physics Center, 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 Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), European Commission, Ministry of Science and Higher Education (Poland), Ministerio de Economía y Competitividad (España), Brandimarte, Pedro, Zuzak, Rafał, Godlewski, Szymon, Frederiksen, Thomas, Institut National des Sciences Appliquées (INSA)-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées (INSA)-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), DUJARDIN, Erik, Brandimarte, Pedro [000-0002-8762-5876], Zuzak, Rafał [0000-0001-6617-591X], Godlewski, Szymon [0000-0002-8515-1566], and Frederiksen, Thomas [0000-0001-7523-7641]

Subjects
0301 basic medicine, Materials science, Science, Transconductance, Scanning tunneling spectroscopy, General Physics and Astronomy, 02 engineering and technology, Electron, Atomic units, Molecular physics, General Biochemistry, Genetics and Molecular Biology, Article, [PHYS] Physics [physics], 03 medical and health sciences, Scanning probe microscopy, Miniaturization, Physics::Atomic and Molecular Clusters, lcsh:Science, Surface states, Condensed Matter::Quantum Gases, [PHYS]Physics [physics], Multidisciplinary, General Chemistry, 021001 nanoscience & nanotechnology, Characterization (materials science), 030104 developmental biology, lcsh:Q, 0210 nano-technology
Abstract

Miniaturization of electronic circuits into the single-atom level requires novel approaches to characterize transport properties. Due to its unrivaled precision, scanning probe microscopy is regarded as the method of choice for local characterization of atoms and single molecules supported on surfaces. Here we investigate electronic transport along the anisotropic germanium (001) surface with the use of two-probe scanning tunneling spectroscopy and first-principles transport calculations. We introduce a method for the determination of the transconductance in our two-probe experimental setup and demonstrate how it captures energy-resolved information about electronic transport through the unoccupied surface states. The sequential opening of two transport channels within the quasi-one-dimensional Ge dimer rows in the surface gives rise to two distinct resonances in the transconductance spectroscopic signal, consistent with phase-coherence lengths of up to 50 nm and anisotropic electron propagation. Our work paves the way for the electronic transport characterization of quantum circuits engineered on surfaces., This work was supported by the FP7 FET-ICT “Planar Atomic and Molecular Scale devices” (PAMS) project (funded by the European Commission under contract number 610446), the Polish Ministry for Science and Higher Education from financial resources for science in 2013–2017 granted for an international co-financed project (contract number 2913/7.PR/2013/2) and the Spanish Ministerio de Economía y Competitividad (MINECO) (Grant Numbers MAT2016-78293-C6-4-R and FIS2017-83780-P). M.K. acknowledges financial support received from the Polish Ministry of Science and Higher Education, contract number 0341/IP3/2016/74.

Published
2019
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3. Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor

Author

Rafal Zuzak, Hiroyo Kawai, Antonio M. Echavarren, Mark Saeys, Marek Kolmer, Mads Engelund, Daniel Sánchez-Portal, Szymon Godlewski, Aran Garcia-Lekue, Marek Szymonski, Christian Joachim, Centre for Nanometer-Scale Science and Advanced Materials (NANOAM), Uniwersytet Jagielloński w Krakowie = Jagiellonian University (UJ), Departamento de Fisica de Materieles and Centro Mixto CSIC-UPV/EHU, Facultad de Ciencias Quimicas, Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research), 3 Research Link, Singapore 117602, Singapore., Donostia International Physics Center - DIPC (SPAIN), Donostia International Physics Center (DIPC), University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU)-University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Universiteit Gent = Ghent University [Belgium] (UGENT), Institute of Chemical Research of Catalonia (ICIQ), Groupe NanoSciences (CEMES-GNS), 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 Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Ministry of Science and Higher Education (Poland), European Commission, Ministerio de Economía y Competitividad (España), Eusko Jaurlaritza, Universidad del País Vasco, Foundation for Polish Science, Agency for Science, Technology and Research A*STAR (Singapore), National Science Centre (Poland), Universiteit Gent = Ghent University (UGENT), 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)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), and Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)

Subjects
General Physics and Astronomy, 02 engineering and technology, Substrate (electronics), Electronic structure, 01 natural sciences, law.invention, Condensed Matter::Materials Science, law, Computational chemistry, 0103 physical sciences, Molecule, Physical and Theoretical Chemistry, Physics::Chemical Physics, 010306 general physics, HOMO/LUMO, [PHYS]Physics [physics], Quantitative Biology::Biomolecules, business.industry, Chemistry, Dangling bond, 021001 nanoscience & nanotechnology, Semiconductor, Chemical physics, Quantum dot, Scanning tunneling microscope, 0210 nano-technology, business
Abstract

Controlling the strength of the coupling between organic molecules and single atoms provides a powerful tool for tuning electronic properties of single-molecule devices. Here, using scanning tunneling microscopy and spectroscopy (STM/STS) supported by theoretical modeling, we study the interaction of a planar organic molecule (trinaphthylene) with a hydrogen-passivated Ge(001):H substrate and a single dangling bond quantum dot on that surface. The electronic structure of the molecule adsorbed on the hydrogen-passivated surface is similar to the gas phase structure and the measurements show that HOMO and LUMO states contribute to the STM filled and empty state images, respectively. Furthermore, we show that the electronic properties are not significantly affected when the molecule is attached to the single dangling bond, which is in contrast with the strong interaction of the molecule with a dangling bond dimer. Our results show that the dangling bond quantum dots could stabilize organic molecules on a hydrogenated semiconductor without affecting their originally designed gas phase electronic properties. Together with the ability to laterally manipulate the molecules on the surface, this will be advantageous in the construction of single-molecule devices, where the coupling and positioning of the molecules on the substrate could be tuned by a proper design of the surface quantum dot arrays, comprising both single and dimerized dangling bonds., This work was supported by the Polish Ministry for Science and Higher Education, contract no. 0322/IP3/2013/72. The experiment was carried out using equipment purchased with financial support from the European Regional Development Fund within the framework of the Polish Innovation Economy Operational Program (contract no. POIG.02.01.00-12-023/08). ME, AGL and DSP acknowledge funding by the FP7 FET-ICT “Planar Atomic and Molecular Scale devices” (PAMS) project (funded by the European Commission under contract No. 610446), the Spanish Ministerio de Economia y Competitividad (MINECO) (Grant No. MAT2013-46593-C6-2-P) and the Basque Department of Education and the UPV/EHU (Grant No. IT-756-13). MK acknowledges financial support received from the Foundation for Polish Science (FNP). SG acknowledges the support from the National Science Centre, Poland (2014/15/D/ST3/02975). AME acknowledges the MINECO (Grant No. CTQ2013-42106-P). HK acknowledges the A*STAR Computational Resource Centre (A*CRC) for the computational resources and support. RZ acknowledges support received from KNOW (scholarship KNOW/44/SS/RZ/2015).

Published
2016
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4. Dynamic screening and electron dynamics in low-dimensional metal systems

Author

M. Quijada, Vyacheslav M. Silkin, Pedro M. Echenique, J. I. Juaristi, Daniel Sánchez-Portal, Maite Alducin, R. Díez Muiño, Maia G. Vergniory, Evgueni V. Chulkov, Andrei G. Borisov, Laboratoire des collisions atomiques et moléculaires (LCAM), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), and Geurts, Mireille

Subjects
Dynamic screening, Physics, Nuclear and High Energy Physics, Condensed matter physics, 02 engineering and technology, Electron dynamics, 021001 nanoscience & nanotechnology, 01 natural sciences, Metal, visual_art, Quantum mechanics, 0103 physical sciences, Quasiparticle, visual_art.visual_art_medium, 010306 general physics, 0210 nano-technology, Instrumentation, Quantum well, ComputingMilieux_MISCELLANEOUS, Surface states, Metal clusters
Abstract

Recent advances in the theoretical description of dynamic screening and electron dynamics in metallic media are reviewed. The time-dependent building-up of screening in different situations is addressed. Perturbative and non-perturbative theories are used to study electron dynamics in low-dimensional systems, such as metal clusters, image states, surface states and quantum wells. Modification of the electronic lifetimes due to confinement effects is analyzed as well. © 2006 Elsevier B.V. All rights reserved., We acknowledge partial support by the University of the Basque Country UPV/EHU (Grant No. 9/UPV 00206.215-13639/2001), and the Spanish MCyT (Grant No. FIS2004-06490-CO3-00).

Published
2007

5. Building up the screening below the femtosecond scale

Author

R. Díez Muiño, Pedro M. Echenique, Daniel Sánchez-Portal, Andrei G. Borisov, Laboratoire des collisions atomiques et moléculaires (LCAM), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), and Geurts, Mireille

Subjects
Free electron model, Scale (ratio), Condensed matter physics, Chemistry, Jellium, [PHYS.COND.CM-SCE] Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el], Time evolution, General Physics and Astronomy, 02 engineering and technology, Time-dependent density functional theory, 021001 nanoscience & nanotechnology, 01 natural sciences, Computational physics, 0103 physical sciences, Femtosecond, Cluster (physics), Boundary value problem, Physical and Theoretical Chemistry, [PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el], 010306 general physics, 0210 nano-technology
Abstract

We use time dependent density functional theory to study short-time dynamics of the screening of a negative charge suddenly introduced in a free electron gas. The electron gas is modeled with a finite-size jellium cluster. We find that the screening is built-up locally on a time scale well below the femtosecond for typical metallic densities. At this ultrashort time scale, the time evolution is not affected by the cluster boundary conditions, and our results apply to the infinite system as well. The results for different electronic densities can be understood in terms of universal scaling laws. © 2004 Elsevier B.V. All rights reserved., This work was supported in part by the Basque Departamento de Educación, Universidades e Investigación, the University of the Basque Country UPV/ EHU (Grant No. 9/UPV 00206.215-13639/2001), and the Spanish MCyT (Grant No. MAT2001-0946). AB acknowledges financial support from the DIPC, and DSP from the Spanish MCyT and CSIC.

Published
2004

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