Phase diagram studies for the growth of (Mg,Zr):SrGa12O19 crystals

By differential thermal analysis, a concentration field suitable for the growth of Zr, Mg co-doped strontium hexagallate crystals was observed that corresponds well with known experimental results. It was shown that the melting point of doped crystal is ca. 60 K higher than that of undoped crystals. This higher melting points indicate hexagallate phase stabilization by Zr, Mg co-doping and increase the growth window of (Mg,Zr):SrGa12O19, compared to undoped SrGa12O19 that grows from SrO–Ga2O3 melts

REScO3 Substrates—Purveyors of Strain Engineering

The thermodynamic and crystallographic background for the development of substrate crystals that are suitable for the epitaxial deposition of biaxially strained functional perovskite layers is reviewed. In such strained layers the elastic energy delivers an additional contribution to the Gibbs free energy, which allows the tuning of physical properties and phase transition temperatures to desired values. For some oxide systems metastable phases can even be accessed. Rare-earth scandates, REScO3, are well suited as substrate crystals because they combine mechanical and chemical stability in the epitaxy process with an adjustable range of pseudo-cubic lattice parameters in the 3.95 to 4.02 Å range. To further tune the lattice parameters, chemical substitution for the RE or Sc is possible. © 2019 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinhei

Ti-Sr antisite : An abundant point defect in SrTiO3

We present a systematic study of the positron lifetime as a function of measurement temperature in strontium titanate ( SrTiO 3) single crystals grown in different conditions and by different synthesis methods. We combine our experimental results with state-of-the-art theoretical calculations of positron annihilation parameters. We find that the essentially omnipresent 180-190ps lifetime component is most likely the Ti Sr antisite defect, possibly coupled with one or more oxygen vacancies, supporting the importance of the Ti Sr antisite related defects in SrTiO 3.Peer reviewe

Fingerprints of carbon defects in vibrational spectra of gallium nitride (GaN) consider-ing the isotope effect

This work examines the carbon defects associated with recently reported and novel peaks of infrared (IR) absorption and Raman scattering appearing in GaN crystals at carbon ($^{12}C$) doping in the range of concentrations from $3.2*10^{17}$ to $3.5*10^{19} cm^{-3}$. 14 unique vibrational modes of defects are observed in GaN samples grown by hydride vapor phase epitaxy (HVPE) and then compared with defect properties predicted from first-principles calculations. The vibrational frequency shift in two $^{13}C$ enriched samples related to the effect of the isotope mass indicates six distinct configurations of the carbon-containing point defects. The effect of the isotope replacement is well reproduced by the density functional theory (DFT) calculations. Specific attention is paid to the most pronounced defects, namely tri-carbon complexes($C_N=C=C_N$) and carbon substituting for nitrogen $C_N$. The position of the transition level (+/0) in the bandgap found for $C_N=C=C_N$ defects by DFT at 1.1 eV above the valence band maximum, suggest that $(C_N=C=C_N)^+$ provides compensation of ${C_N}^-$. $C_N=C=C_N$ defects are observed to be prominent, yet have high formation energies in DFT calculations. Regarding ${C_N}$ defects, it is shown that the host Ga and N atoms are involved in the defect's delocalized vibrations and significantly affect the isotopic frequency shift. Much more faint vibrational modes are found from di-atomic carbon-carbon and carbon-hydrogen (C-H) complexes. Also, we note changes of vibrational mode intensities of $C_N$, $C_N=C=C_N$, C-H, and $C_N-C_i$ defects in the IR absorption spectra upon irradiation in the defect-related UV/visible absorption range. Finally, it is demonstrated that the resonant enhancement of the Raman process in the range of defect absorption above 2.5 eV enables the detection of defects at carbon doping concentrations as low as $3.2*10^{17} cm^{-3}$

Experimental Hall electron mobility of bulk single crystals of transparent semiconducting oxides

We provide a comparative study of basic electrical properties of bulk single crystals of transparent semiconducting oxides (TSOs) obtained directly from the melt (9 compounds) and from the gas phase (1 compound), including binary (β-Ga2O3, In2O3, ZnO, SnO2), ternary (ZnSnO3, BaSnO3, MgGa2O4, ZnGa2O4), and quaternary (Zn1−xMgxGa2O4, InGaZnO4) systems. Experimental outcome, covering over 200 samples measured at room temperature, revealed n-type conductivity of all TSOs with free electron concentrations (ne) between 5 × 1015 and 5 × 1020 cm−3 and Hall electron mobilities (μH) up to 240 cm2 V−1 s−1. The widest range of ne values was achieved for β-Ga2O3 and In2O3. The most electrically conducting bulk crystals are InGaZnO4 and ZnSnO3 with ne > 1020 cm−3 and μH > 100 cm2 V−1 s−1. The highest μH values > 200 cm2 V−1 s−1 were measured for SnO2, followed by BaSnO3 and In2O3 single crystals. In2O3, ZnO, ZnSnO3, and InGaZnO4 crystals were always conducting, while others could be turned into electrical insulators.Leibniz-Gemeinschaft http://dx.doi.org/10.13039/501100001664Leibniz-Institut für Kristallzüchtung (IKZ) im Forschungsverbund Berlin e.V. (3477)Peer Reviewe

Experimental Hall electron mobility of bulk single crystals of transparent semiconducting oxides

We provide a comparative study of basic electrical properties of bulk single crystals of transparent semiconducting oxides (TSOs) obtained directly from the melt (9 compounds) and from the gas phase (1 compound), including binary (β-Ga2O3, In2O3, ZnO, SnO2), ternary (ZnSnO3, BaSnO3, MgGa2O4, ZnGa2O4), and quaternary (Zn1−xMgxGa2O4, InGaZnO4) systems. Experimental outcome, covering over 200 samples measured at room temperature, revealed n-type conductivity of all TSOs with free electron concentrations (ne) between 5 × 1015 and 5 × 1020 cm−3 and Hall electron mobilities (μH) up to 240 cm2 V−1 s−1. The widest range of ne values was achieved for β-Ga2O3 and In2O3. The most electrically conducting bulk crystals are InGaZnO4 and ZnSnO3 with ne > 1020 cm−3 and μH > 100 cm2 V−1 s−1. The highest μH values > 200 cm2 V−1 s−1 were measured for SnO2, followed by BaSnO3 and In2O3 single crystals. In2O3, ZnO, ZnSnO3, and InGaZnO4 crystals were always conducting, while others could be turned into electrical insulators