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Electronic and Optical Properties of Substitutional and Interstitial Si-Doped ZnO
This study investigates the formation energies, electronic structures, and optical properties of pure and Si-doped ZnO using density functional theory and the Hubbard U (DFT + U(d) + U(p)) method. The difference in lattice constants between calculated results and experimental measurements is within...
Autores principales: | Wu, Hsuan-Chung, Peng, Yen-Chun, Shen, Tsu-Ping |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5449001/ http://dx.doi.org/10.3390/ma5112088 |
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