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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
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 |