Vacancy Defects in Ga<sub>2</sub>O<sub>3</sub>: First-Principles Calculations of Electronic Structure
First-principles density functional theory (DFT) is employed to study the electronic structure of oxygen and gallium vacancies in monoclinic bulk β-Ga<sub>2</sub>O<sub>3</sub> crystals. Hybrid exchange–correlation functional B3LYP within the density functional theory and supe...
Main Authors: | Abay Usseinov, Zhanymgul Koishybayeva, Alexander Platonenko, Vladimir Pankratov, Yana Suchikova, Abdirash Akilbekov, Maxim Zdorovets, Juris Purans, Anatoli I. Popov |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-12-01
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Series: | Materials |
Subjects: | |
Online Access: | https://www.mdpi.com/1996-1944/14/23/7384 |
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