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Electronic Structure and Optical Property Analysis of Al/Ga-Codoped ZnO through First-Principles Calculations
Using density functional theory and the Hubbard U method, we investigated the geometric structure, electronic structure, and optical property of Al/Ga-codoped ZnO. A 3 × 3 × 3 ZnO supercell was used to construct Al- and Ga-monodoped ZnO structures and Al/Ga-codoped ZnO (AGZO) structures. All three s...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5456706/ https://www.ncbi.nlm.nih.gov/pubmed/28773286 http://dx.doi.org/10.3390/ma9030164 |