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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...
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| 出版年: | Materials (Basel) |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
MDPI
2012
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5449001/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma5112088 |
| タグ: |
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