Ga2O3 is a highly promising material for power electronics, thanks to its large band gap (4.8 eV) and high breakdown voltage. Better control of doping is still an active research topic, both in Ga2O3 and in (AlxGa1-x)2O3 alloys. First-principles modeling, using advanced hybrid functional calculations within density functional theory, can greatly help in resolving experimental puzzles and guiding optimal doping conditions.
Work performed in collaboration with S. Mu, J. L. Lyons, H. Peelaers, J. B. Varley, and D. Wickramaratne.
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