First-principles modeling of native point defects in zinc gallate (Conference Presentation)

Stefan C. Badescu; Marco D. Santia; David C. Look; Kevin D. Leedy

doi:10.1117/12.2554795

10 March 2020 First-principles modeling of native point defects in zinc gallate (Conference Presentation)

Stefan C. Badescu, Marco D. Santia, David C. Look, Kevin D. Leedy

Proceedings Volume 11281, Oxide-based Materials and Devices XI; 112810S (2020) https://doi.org/10.1117/12.2554795
Event: SPIE OPTO, 2020, San Francisco, California, United States

Abstract

Following demonstrations of bulk and epitaxial growth, zinc gallate ZnGa2O4 has been receiving increased attention for power electronics applications due to bandgap and high and high carrier concentration mobility comparable to those of beta-Ga2O3. Here we use first principles calculations to study stability of the direct and inverted spinel structures of ZnGa2O4 as a function of temperature and the formation energies of native defects: Zn, Ga, and O vacancies, the Zn/Ga, Ga/Zn antisites that provide insights into the nature of shallow donors from high temperature growth, and the higher-energy cation-anion antisites. In addition, we discuss aspects of the electronic structure in the presence of aluminum incorporation.

Conference Presentation

Citation Download Citation

Stefan C. Badescu, Marco D. Santia, David C. Look, and Kevin D. Leedy "First-principles modeling of native point defects in zinc gallate (Conference Presentation)", Proc. SPIE 11281, Oxide-based Materials and Devices XI, 112810S (10 March 2020); https://doi.org/10.1117/12.2554795

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