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Proceedings Paper

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

Paper 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.

Paper Details

Date Published: 10 March 2020
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Proc. SPIE 11281, Oxide-based Materials and Devices XI, 1128102 (10 March 2020); doi: 10.1117/12.2552231
Show Author Affiliations
Chris G. Van de Walle, Univ. of California, Santa Barbara (United States)


Published in SPIE Proceedings Vol. 11281:
Oxide-based Materials and Devices XI
David J. Rogers; David C. Look; Ferechteh H. Teherani, Editor(s)

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