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Point Defects in Silicon-Doped β-Ga(2)O(3): Hybrid-DFT Calculations
[Image: see text] In this work, hybrid density functional theory calculations are used to evaluate the structural and electronic properties and formation energies of Si-doped β-Ga(2)O(3). Overall, eight interstitial (Si(i)) and two substitutional (Si(Ga)) positions are considered. In general, our re...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10666250/ https://www.ncbi.nlm.nih.gov/pubmed/38027371 http://dx.doi.org/10.1021/acsomega.3c05557 |