First-principles studies of defects, doping, and diffusion in gallium oxide (Conference Presentation)

Chris G. Van de Walle

doi:10.1117/12.2552231

10 March 2020 First-principles studies of defects, doping, and diffusion in gallium oxide (Conference Presentation)

Chris G. Van de Walle

Proceedings Volume 11281, Oxide-based Materials and Devices XI; 1128102 (2020) https://doi.org/10.1117/12.2552231
Event: SPIE OPTO, 2020, San Francisco, California, United States

Abstract

We have used first-principles modeling, based on advanced hybrid functional calculations within density functional theory, to accurately predict properties of point defects and impurities in Ga2O3 and related materials. Point defects act as compensating centers, but they also assist diffusion of impurities. Accurate knowledge of formation energies and migration barriers then allows determining the doping profile. These results provide guidance for incorporating Ga2O3 into devices. Work performed in collaboration with J. Hwang, A. Janotti, J. L. Lyons, H. Peelaers, and J. B. Varley.

Conference Presentation

Citation Download Citation

Chris G. Van de Walle "First-principles studies of defects, doping, and diffusion in gallium oxide (Conference Presentation)", Proc. SPIE 11281, Oxide-based Materials and Devices XI, 1128102 (10 March 2020); https://doi.org/10.1117/12.2552231

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