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Vacancy Defects in Ga(2)O(3): 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(2)O(3) crystals. Hybrid exchange–correlation functional B3LYP within the density functional theory and supercell approach were successfully used to s...

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Detalles Bibliográficos
Autores principales:	Usseinov, Abay, Koishybayeva, Zhanymgul, Platonenko, Alexander, Pankratov, Vladimir, Suchikova, Yana, Akilbekov, Abdirash, Zdorovets, Maxim, Purans, Juris, Popov, Anatoli I.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8658284/ https://www.ncbi.nlm.nih.gov/pubmed/34885539 http://dx.doi.org/10.3390/ma14237384

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