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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...

詳細記述

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書誌詳細
出版年:Materials (Basel)
主要な著者: Wu, Hsuan-Chung, Peng, Yen-Chun, Shen, Tsu-Ping
フォーマット: Artigo
言語:Inglês
出版事項: MDPI 2012
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
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