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8 March 2019 Modeling of phase transitions in aluminum-gallium oxide alloys (Conference Presentation)
Catalin S. Badescu
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Proceedings Volume 10919, Oxide-based Materials and Devices X; 1091908 (2019) https://doi.org/10.1117/12.2514838
Event: SPIE OPTO, 2019, San Francisco, California, United States
Abstract
The epitaxial growth of beta-aluminum-gallium oxide alloys on beta-gallium oxide substrates is limited by the difference in lattice constants and lattice symmetries of beta-gallium oxide (monoclinic) and aluminum oxide (corundum). The monoclinic and corundum phases of the alloys have been compared mostly on the grounds of their total energies at zero Kelvin, considering that the vibrational entropy contribution is relatively small. Here we show that the lattice mismatch-induced strain can lead to zone edge softening, providing a path for phase transitions in epitaxial growth of aluminum-gallium oxide alloys. This mechanism depends on both the alloy concentration ratio and on the direction of growth. Detailed insights are obtained from first-principles calculations of total energies and vibrational spectra throughout the Brillouin zone.
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Catalin S. Badescu "Modeling of phase transitions in aluminum-gallium oxide alloys (Conference Presentation)", Proc. SPIE 10919, Oxide-based Materials and Devices X, 1091908 (8 March 2019); https://doi.org/10.1117/12.2514838
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KEYWORDS
Oxides
Corundum
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