2021年1月1日 · Here, we identified the thermodynamic phase diagram of heterostructural (Al x Ga 1-x) 2 O 3 alloy. Using density-functional theory (DFT) calculations and regular solution model, we calculated the Gibbs-free energy of mixing of heterostructural polymorphs.

Crystallization of the amorphous intermediates below 1300 °C produces mixtures of the mullite phase and Ga 4 GeO 8. Many of the 71 Ga MAS NMR spectra are dominated by the quadrupolar lineshape of β-Ga 2 O 3 from the structural units of α-Ga 4 GeO 8 or unreacted starting material.

2018年6月11日 · We find that the monoclinic phase is the preferred structure for up to 71% Al incorporation, in close agreement with experimental phase diagrams, and that the ordered monoclinic AlGaO 3 alloy is exceptionally stable. We also discuss bandgap bowing, lattice constants, and band offsets that can guide future synthesis and device design efforts.

The reaction mechanisms at Al2O3/Ge interfaces with thermal oxidation through the Al2O3 layer have been investigated. X-ray photoelectron spectroscopy reveals that an Al6Ge2O13 layer is formed near …

In this work, we venture to show how careful use of a program for quantum chemical calculations (such as VASP) may enrich teaching in solid-state chemistry and how principles of thermodynamics...

This composition appears in the Ge-O region of phase space. It's relative stability is shown in the Ge-O phase diagram (left). The relative stability of all other phases at this composition (and the combination of other stable phases, if no compound at this composition is stable) is shown in the relative stability plot (right).

Journal of the American Ceramic Society (JACerS) is a leading ceramics journal publishing research across the field of ceramic and glass science and engineering.

Phase Diagrams. RICT PD Home. Metal CNBSi_Phase Diagram. Ceramics. Metal-O. ZrO2-base. R2O3-base ... Al2O3-CoO in air. Al2O3-Cr2O3 in air. Al2O3-C uO in air. Al2O3-Dy 2O3. Al2O3-Er 2O3. Al2O3-Eu 2O3. Al2O3-FeO +Fe. Al2O3-Fe 2O3 in air. Al2O3-Ga 2O3. Al2O3-Gd 2O3. Al2O3-GeO2. Al2O3-HfO2. Al2O3-In 2O3. Al2O3-K2O. Al2O3-La 2O3. Al2O3-Li2O. Al2O3 ...

2023年5月10日 · In this work, we investigate the energetics of alpha (α) and beta (β) polymorphs of Ga2O3 and Al2O3 by considering all possible configurations in a conventional unit cell. Using density functional theory, we show that the formation energies of (AlxGa1-x)2O3 configurations show an overlap at 50% concentration and a lowest energy configuration ...

Phase diagrams of the system Al 2 O 3 - SiO 2 as presented in the domestic and foreign literature are analyzed. The congruent and incongruent states of mullite, liquation in the solid phase, and the structures of mullite and sillimanite are discussed.