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Here I will discuss first-principles calculations based on a hybrid functional that describe the properties of acceptor dopants in gallium oxide. These calculations now have predictive power, as will be demonstrated for the magnesium acceptor in gallium oxide. Acceptors are unlikely to lead to p-type conductivity in gallium oxide, they can compensate prevailing p-type conductivity, and I will compare the stability of acceptor impurities against native defects such as gallium vacancies. The stability of hole polarons in a set of ultrawide-bandgap oxides will also be examined and compared, both in pristine material and in the presence of acceptor impurities.
John L. Lyons
"Doping, compensation, and optical signals of acceptors in ultrawide-bandgap oxides (Conference Presentation)", Proc. SPIE PC12422, Oxide-based Materials and Devices XIV, PC1242201 (16 March 2023); https://doi.org/10.1117/12.2660464
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John L. Lyons, "Doping, compensation, and optical signals of acceptors in ultrawide-bandgap oxides (Conference Presentation)," Proc. SPIE PC12422, Oxide-based Materials and Devices XIV, PC1242201 (16 March 2023); https://doi.org/10.1117/12.2660464