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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...
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| Pubblicato in: | Materials (Basel) |
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| Autori principali: | , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI
2016
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5456706/ https://ncbi.nlm.nih.gov/pubmed/28773286 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma9030164 |
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