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16 March 2023 Role of hydrogen in gallium oxide (Conference Presentation)
Chris G. Van de Walle
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Proceedings Volume PC12422, Oxide-based Materials and Devices XIV; PC1242208 (2023) https://doi.org/10.1117/12.2659844
Event: SPIE OPTO, 2023, San Francisco, California, United States
Abstract
We have used first-principles calculations based on density functional theory to accurately model the interaction of hydrogen in Ga2O3 and related alloys. Hydrogen is often present during growth or processing of the material, particularly in metal-organic chemical vapor deposition (MOCVD). Our comprehensive study of surface reconstructions establishes under which conditions hydrogen will be present on the surface, and how it affects the growth. For hydrogen inside the material, we calculate diffusion barriers, and the formation of complexes with intentional or unintentional impurities. Work performed in collaboration with J. L. Lyons, S. Mu, J. B. Varley, M. Wang, and D. Wickramaratne.
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Chris G. Van de Walle "Role of hydrogen in gallium oxide (Conference Presentation)", Proc. SPIE PC12422, Oxide-based Materials and Devices XIV, PC1242208 (16 March 2023); https://doi.org/10.1117/12.2659844
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KEYWORDS
Hydrogen
Gallium
Oxides
Metalorganic chemical vapor deposition
Carbon
Chemical vapor deposition
Diffusion
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