Vacancy Defects in Ga<sub>2</sub>O<sub>3</sub>: First-Principles Calculations of Electronic Structure

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...

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Bibliographic Details
Main Authors: Abay Usseinov, Zhanymgul Koishybayeva, Alexander Platonenko, Vladimir Pankratov, Yana Suchikova, Abdirash Akilbekov, Maxim Zdorovets, Juris Purans, Anatoli I. Popov
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Materials
Subjects:
DFT
β-Ga<sub>2</sub>O<sub>3</sub>
oxygen vacancy
deep donor
p-type conductivity
point defects
Online Access:https://www.mdpi.com/1996-1944/14/23/7384

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https://www.mdpi.com/1996-1944/14/23/7384

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