First-principles simulations of transition metal dopants and impurities in in Ga2O3 and related alloys (Conference Presentation)

Joel B. Varley

doi:10.1117/12.2660843

16 March 2023 First-principles simulations of transition metal dopants and impurities in in Ga₂O₃ and related alloys (Conference Presentation)

Joel B. Varley

Author Affiliations +

Proceedings Volume PC12422, Oxide-based Materials and Devices XIV; PC1242206 (2023) https://doi.org/10.1117/12.2660843
Event: SPIE OPTO, 2023, San Francisco, California, United States

Abstract

Ga2O3 is an ultrawide bandgap semiconductor material platform for next-generation power electronics, largely owing to commercially-available single-crystal substrates that can be grown via industrially-scalable processes. Transition metals such as Ir, Cr, and Fe incorporated during growth can strongly influence the resulting optical and electrical properties of single crystals, with Fe now the de facto dopant for achieving semi-insulating substrates. Several other transition metals have been shown to exhibit diverse electronic behavior, acting as deep acceptors, deep donors, or even as efficient shallow donors, depending on how they incorporate into the lattice. Here we survey the current understanding of transition metal point defects in Ga2O3, focusing on their potential optical and electrical consequences from insights gained through first-principles-based calculations employing hybrid functionals.

Conference Presentation

Citation Download Citation

Joel B. Varley "First-principles simulations of transition metal dopants and impurities in in Ga₂O₃ and related alloys (Conference Presentation)", Proc. SPIE PC12422, Oxide-based Materials and Devices XIV, PC1242206 (16 March 2023); https://doi.org/10.1117/12.2660843

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