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It was demonstrated by ab initio calculations that energy optimization in the reconstruction of semiconductor surfaces is controlled by the global charge balance. The charge control was discovered during simulations of the influence of heavy doping in the GaN bulk, which changes sp 3 to sp 2 ratio in the reconstruction of stoichiometric GaN(0001), i.e., a Ga-polar surface. Thus, the reconstruction is not limited to the charge in the surface only; it can be affected by the charge in the bulk. The discovered new reconstruction of the GaN(0001) surface is (4 × 4), which is different from the previously reported (2 × 1) pattern. The undoped GaN reconstruction is surface charge controlled; accordingly, (3/8) top-layer Ga atoms remain in a standard position with sp 3 hybridized bonding, while the remaining (5/8) top-layer Ga atoms are shifted into the plane of N atoms with sp 2 hybridized bonding. The change in the charge balance caused by doping in the bulk leads to a change or disappearance of the reconstruction pattern.

In this paper, we present the results of experiments on samples of β-Ga 2 O 3 single crystals under a project aimed at assessing and improving the scintillation performance of this material by studying scintillation and radioluminescence mechanism and its limitations. In addition to standard experiments, such as scintillation light yields and time profiles, radio-, and thermoluminescence, we developed and tested a new and promising two-beam experiment, in which a sample is excited by an X-ray beam and additionally stimulated by an IR laser diode. Fe and Mg doping compensate for the inherent n-type conductivity of β-Ga 2 O 3 to obtain semi-insulating single crystals for large-area substrates and wafers. At the same time, residual Fe and Ir are ubiquitous uncontrolled impurities leached from the Ir crucibles used to grow large bulk crystals by the Czochralski method. For these experiments, we selected four samples cut from the Czochralski grown 2-cm diameter β-Ga 2 O 3 single crystal boules; one with a reduced Fe content, two unintentionally Fe- and Ir-doped (UID) with lower and higher Fe content, and one doped with Mg. We find that steady-state radioluminescence spectra measured at temperatures between 10 and 350 K are dominated by the UV emission peaking at about 350-370 nm. Unfortunately, even for the best sample with a reduced Fe-content, the intensity of this emission drops precipitously with the temperature down to about 10 % at 300 K. From the two-beam experiments, we conclude that recombination via inadvertent Fe impurity involving three charge states (2+, 3+, and 4+) may reduce a steady-state UV emission of β-Ga 2 O 3 under X-ray excitation by as much as 60-70 %, one-third to one-half of which is due to the recombination (specific for Fe-doped β-Ga 2 O 3 ) involving the 4+ and 3+ charge states of Fe and the remaining 50-70 % being due to a more familiar route typical of other oxides, involving the 2+ and 3+ charge states of Fe. These losses are at higher temperatures enhanced by a thermally activated redistribution of self-trapped holes (STHs). In addition, the trapping of electrons by Fe and holes by Mg, Fe, and Ir may be responsible for scintillation light loss and reduction of the zero-time amplitude essential for the fast timing scintillation applications. Despite indirect evidence of competitive recombination in β-Ga 2 O 3 involving a deep Ir 3+/4+ donor level, we could not quantitatively assess losses of the UV steady state radioluminescence light due to the inadvertent Ir impurity., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2023 The Authors.)

In this work, we study the thermal degradation of In-rich In x Ga 1- x N quantum wells (QWs) and propose explanation of its origin based on the diffusion of metal vacancies. The structural transformation of the In x Ga 1- x N QWs is initiated by the formation of small initial voids created due to agglomeration of metal vacancies diffusing from the layers beneath the QW. The presence of voids in the QW relaxes the mismatch stress in the vicinity of the void and drives In atoms to diffuse to the relaxed void surroundings. The void walls enriched in In atoms are prone for thermal decomposition, what leads to a subsequent disintegration of the surrounding lattice. The phases observed in the degraded areas of QWs contain voids partly filled with crystalline In and amorphous material, surrounded by the rim of high In-content In x Ga 1- x N or pure InN; the remaining QW between the voids contains residual amount of In. In the case of the In x Ga 1- x N QWs deposited on the GaN layer doped to n-type or on unintentionally doped GaN, we observe a preferential degradation of the first grown QW, while doping of the underlying GaN layer with Mg prevents the degradation of the closest In x Ga 1- x N QW. The reduction in the metal vacancy concentration in the In x Ga 1- x N QWs and their surroundings is crucial for making them more resistant to thermal degradation.

We identify and characterize a novel type of quantum emitter formed from InGaN monolayer islands grown using molecular beam epitaxy and further isolated via the fabrication of an array of nanopillar structures. Detailed optical analysis of the characteristic emission spectrum from the monolayer islands is performed, and the main transmission is shown to act as a bright, stable, and fast single-photon emitter with a wavelength of ~400 nm., Competing Interests: Conflict of interestThe authors declare that they have no conflict of interest., (© The Author(s) 2020.)

Thin films of the wide band gap semiconductor β-Ga 2 O 3 have a high potential for applications in transparent electronics and high power devices. However, the role of interfaces remains to be explored. Here, we report on fundamental limits of transport properties in thin films. The conductivities, Hall densities and mobilities in thin homoepitaxially MOVPE grown (100)-orientated β-Ga 2 O 3 films were measured as a function of temperature and film thickness. At room temperature, the electron mobilities ((115 ± 10) cm 2 /Vs) in thicker films (>150 nm) are comparable to the best of bulk. However, the mobility is strongly reduced by more than two orders of magnitude with decreasing film thickness ((5.5 ± 0.5) cm 2 /Vs for a 28 nm thin film). We find that the commonly applied classical Fuchs-Sondheimer model does not explain sufficiently the contribution of electron scattering at the film surfaces. Instead, by applying an electron wave model by Bergmann, a contribution to the mobility suppression due to the large de Broglie wavelength in β-Ga 2 O 3 is proposed as a limiting quantum mechanical size effect.

We present a detailed analysis of the ferroelectric domain structure of K 0.70 Na 0.30 NbO 3 thin films on (110) TbScO 3 grown by metal-organic chemical vapor deposition. Upon piezoresponse force microscopy and nanofocus x-ray diffraction measurements we derive a domain model revealing monoclinic M C domains. The complex domain pattern is formed out of four co-existing in-plane orientations of the shearing direction of the monoclinic unit cell resulting in four types of superdomains each being composed of well-ordered stripe domains. Finally, we present surface acoustic wave (SAW) experiments that exhibit extraordinary signal intensities given the low thickness of the tested film. Moreover, the SAW propagation is found to occur selectively along the identified shearing directions.

Phase change materials such as pseudobinary GeTe-Sb 2 Te 3 (GST) alloys are an essential part of existing and emerging technologies. Here, we investigate the electrical and optical properties of epitaxial phase change materials: α-GeTe, Ge 2 Sb 2 Te5 (GST225), and Sb 2 Te 3 . Temperature-dependent Hall measurements reveal a reduction of the hole concentration with increasing temperature in Sb 2 Te 3 that is attributed to lattice expansion, resulting in a non-linear increase of the resistivity that is also observed in GST225. Fourier transform infrared spectroscopy at room temperature demonstrates the presence of electronic states within the energy gap for α-GeTe and GST225. We conclude that these electronic states are due to vacancy clusters inside these two materials. The obtained results shed new light on the fundamental properties of phase change materials such as the high dielectric constant and persistent photoconductivity and have the potential to be included in device simulations.

The formation process of a ferroelectric multi-rank domain pattern in the thickness range of 7-52 nm is investigated for monoclinic K 0.9 Na 0.1 NbO 3 strained epitaxial films on (110) NdScO 3 substrates. Although the elastic strain energy density is degenerated for two pseudocubic orientations, a distinctive hierarchy of domain evolution is observed with exclusive in-plane a 1 a 2 domains for very thin films and the retarded onset of a ferroelectric M C phase at larger film thickness. This is accompanied by a thickness dependent transformation from stripe domains to a herringbone pattern and, eventually, for the thickest film, to a checkerboard-like structure. These transformations in the domain arrangement and width are correlated to energetic aspects as depolarization field and anisotropic strain relaxation in the film. While for the M C domains plastic strain relaxation is throughout observed, the a 1 a 2 domains show a two-step strain relaxation mechanism starting with an in-plane elastic shearing, which is followed by plastic lattice relaxation. Our results highlight a pathway for engineering and patterning of periodic ferroelectric domain structures.

Spinel ferrite NiFe 2 O 4 thin films have been grown on three isostructural substrates, MgAl 2 O 4 , MgGa 2 O 4 , and CoGa 2 O 4 using pulsed laser deposition. These substrates have lattice mismatches of 3.1%, 0.8%, and 0.2%, respectively, with NiFe 2 O 4 . As expected, the films grown on MgAl 2 O 4 substrate show the presence of the antiphase boundary defects. However, no antiphase boundaries (APBs) are observed for films grown on near-lattice-matched substrates MgGa 2 O 4 and CoGa 2 O 4 . This demonstrates that by using isostructural and lattice-matched substrates, the formation of APBs can be avoided in NiFe 2 O 4 thin films. Consequently, static and dynamic magnetic properties comparable with the bulk can be realized. Initial results indicate similar improvements in film quality and magnetic properties due to the elimination of APBs in other members of the spinel ferrite family, such as Fe 3 O 4 and CoFe 2 O 4 , which have similar crystallographic structure and lattice constants as NiFe 2 O 4 ., (© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

A novel concept to obtain a ferroelectric material with enhanced piezoelectric properties is proposed. This approach is based on the combination of two pathways: (i) the evolution of a ferroelectric monoclinic phase and, (ii) the coexistence of different types of ferroelectric domains leading to polarization discontinuities at the domain walls. Each of these pathways enables polarization rotation in the material which is responsible for giant piezoelectricity. Targeted incorporation of anisotropic epitaxial lattice strain is used to implement this approach. The feasibility of our concept is demonstrated for K 0.9 Na 0.1 NbO 3 epitaxial layers grown on NdScO 3 substrates where the coexistence of (100) pc and (001) pc pseudocubic oriented monoclinic domains is experimentally verified. This coexistence results in a complex periodic domain pattern with alternating emergence of ferroelectric in-plane a 1 a 2 and inclined M C monoclinic phases, which differ in the direction of the electrical polarization vector. Our approach opens the possibility to exploit ferroelectric properties in both vertical and lateral directions and to achieve enhanced piezoelectric properties in lead-free material caused by singularities at the domains walls.

We investigate the emission from confined excitons in the structure of a single-monolayer-thick quasi-two-dimensional (quasi-2D) In x Ga 1-x N layer inserted in GaN matrix. This quasi-2D InGaN layer was successfully achieved by molecular beam epitaxy (MBE), and an excellent in-plane uniformity in this layer was confirmed by cathodoluminescence mapping study. The carrier dynamics have also been investigated by time-resolved and excitation-power-dependent photoluminescence, proving that the recombination occurs via confined excitons within the ultrathin quasi-2D InGaN layer even at high temperature up to ~220 K due to the enhanced exciton binding energy. This work indicates that such structure affords an interesting opportunity for developing high-performance photonic devices.

We present the first-time growth of bulk BaSnO 3 single crystals from the melt by direct solidification, their basic electrical and optical properties as well as their structural quality. Our measurement of the melting point (MP) of BaSnO 3 amounts to 1855 °C  ±  25 K. At this temperature an intensive decomposition and non-stoichiometric evaporation takes place as the partial pressure of SnO(g) is about 90 times higher than that of BaO(g). X ray powder diffraction identified only the BaSnO 3 perovskite phase, while narrow rocking curves having a full width at half maximum of 26 arcsec and etch pit densities below 10 6 cm -2 confirm a high degree of structural perfection of the single crystals. In this respect they surpass the structural properties of those single crystals that were reported in the literature. The electrical conductivity of nominally undoped crystals depends on the growth conditions and ranges from insulating to medium n-type conductivity. After post-growth annealing in an oxidizing atmosphere undoped crystals are generally insulating. Doping the crystals with lanthanum during growth results in a high n-type conductivity. For a La doping concentration of 0.123 wt.% we measured an electron concentration of 3.3  ×  10 19 cm -3 and an electron mobility of 219 cm 2 V -1 s -1 . Based on optical absorption measurements we determined an energy of 3.17  ±  0.04 eV at 5 K and of 2.99  ±  0.04 eV at 297 K for the indirect band gap of BaSnO 3 .

The processing of semiconductors based on electromagnetic levitation is a challenge, because this kind of materials shows a poor electrical conductivity. Here, we report the results of measurements of the thermophysical properties obtained recently from highly doped semiconductors Si 1- x Ge x under microgravity conditions in the framework of parabola flight campaigns. Due to the limited time of about 20 s of microgravity especially Ge-rich samples with low melting temperatures were investigated. The measurements were performed contactlessly by video techniques with subsequent digital image processing. Linear and volume thermal expansion coefficients were measured hereby from image data. An anomaly of volume changes near the solidus temperature is visible. Viscosity and surface tension were determined by the oscillating drop technique using optic and electronic data. It was observed that the alloying of Si into Ge increases the surface tension of the melts. The viscosity is following an Arrhenius equation and shows a crossover temperature which separates simple liquid at high temperatures from cooperative liquid at low temperatures.

Quasi-2D GaN layers inserted in an AlGaN matrix are proposed as a novel active region to develop a high-output-power UV light source. Such a structure is successfully achieved by precise control in molecular beam epitaxy and shows an amazing output power of ≈160 mW at 285 nm with a pulsed electron-beam excitation. This device is promising and competitive in non-line-of-sight communications or the sterilization field., (© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Herein we investigate a (001)-oriented GaAs1-xBix/GaAs structure possessing Bi surface droplets capable of catalysing the formation of nanostructures during Bi-rich growth, through the vapour-liquid-solid mechanism. Specifically, self-aligned "nanotracks" are found to exist trailing the Bi droplets on the sample surface. Through cross-sectional high-resolution transmission electron microscopy the nanotracks are revealed to in fact be elevated above surface by the formation of a subsurface planar nanowire, a structure initiated mid-way through the molecular-beam-epitaxy growth and embedded into the epilayer, via epitaxial overgrowth. Electron microscopy studies also yield the morphological, structural, and chemical properties of the nanostructures. Through a combination of Bi determination methods the compositional profile of the film is shown to be graded and inhomogeneous. Furthermore, the coherent and pure zincblende phase property of the film is detailed. Optical characterisation of features on the sample surface is carried out using polarised micro-Raman and micro-photoluminescence spectroscopies. The important light producing properties of the surface nanostructures are investigated through pump intensity-dependent micro-PL measurements, whereby relatively large local inhomogeneities are revealed to exist on the epitaxial surface for important optical parameters. We conclude that such surface effects must be considered when designing and fabricating optical devices based on GaAsBi alloys.

Here we demonstrate how the Fermi surface topology and quantum many-body interactions can be manipulated via epitaxial strain in the spin-triplet superconductor Sr_{2}RuO_{4} and its isoelectronic counterpart Ba_{2}RuO_{4} using oxide molecular beam epitaxy, in situ angle-resolved photoemission spectroscopy, and transport measurements. Near the topological transition of the γ Fermi surface sheet, we observe clear signatures of critical fluctuations, while the quasiparticle mass enhancement is found to increase rapidly and monotonically with increasing Ru-O bond distance. Our work demonstrates the possibilities for using epitaxial strain as a disorder-free means of manipulating emergent properties, many-body interactions, and potentially the superconductivity in correlated materials.

This paper reports on a novel approach to quantitatively reconstruct the column by column composition and the 3D distribution of guest atoms inside a host matrix by scanning transmission electron microscopy high angle annular dark field technique. We propose a new mathematical framework that allows to jointly analyze the information from a set of experiments with variable beam convergence and/or defocus. Our scheme allows to reconstruct the atomic distribution along the imaged columns from the measured intensity, for any dependence of the probe intensity on the depth. It is therefore well suited to incorporate channeling effects that are usually neglected in other approaches. As a case study, we focus here on the systematic variation of the beam convergence that permits to set the maximum of the channeling oscillations at different depths. We aim here to define the reliability and the limitation of this technique by the application of the method to accurate dynamic simulations in the case of the InGaN alloy., (Copyright © 2014 Elsevier B.V. All rights reserved.)

The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 1.12 eV). This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider E g were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity.

Combining aberration corrected high resolution transmission electron microscopy and density functional theory calculations we propose an explanation of the antisurfactant effect of Si in GaN growth. We identify the atomic structure of a Si delta-doped layer (commonly called SiN(x) mask) as a SiGaN(3) monolayer that resembles a √3×√3 R30° surface reconstruction containing one Si atom, one Ga atom, and a Ga vacancy (V(Ga)) in its unit cell. Our density functional theory calculations show that GaN growth on top of this SiGaN(3) layer is inhibited by forming an energetically unfavorable electrical dipole moment that increases with layer thickness and that is caused by charge transfer between cation dangling bonds at the surface to V(Ga) bound at subsurface sites.

The lattice parameters of three perovskite-related oxides have been measured with high precision at room temperature. An accuracy of the order of 10(-5) has been achieved by applying a sophisticated high-resolution X-ray diffraction technique which is based on the modified Bond method. The results on cubic SrTiO(3) [a = 3.905268 (98) Å], orthorhombic DyScO(3) [a = 5.442417 (54), b = 5.719357 (52) and c = 7.904326 (98) Å], and orthorhombic NdGaO(3) [a = 5.428410 (54), b = 5.498407 (55) and c = 7.708878 (95) Å] are discussed in view of possible systematic errors as well as non-stoichiometry in the crystals., (© 2012 International Union of Crystallography)

We have studied the evolution of cellular structures in Ge 1-x Si x single-crystal growth as a function of process parameters. Because these structures are much larger than those occurring during the solidification of metals, we developed a modified phase-field method, which is able to handle these structure within reasonable computer times using the real material parameters. The model has been tested for computing equilibrium shapes of crystals, dendritic growth, and cellular growth of Ni x Cu 1-x. We also performed classical molecular dynamics calculations in order to compute the diffusion coefficients of Si and Ge in melts of various compositions.