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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Detalles Bibliográficos
Autores principales: Wu, Hsuan-Chung, Peng, Yen-Chun, Shen, Tsu-Ping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5449001/
http://dx.doi.org/10.3390/ma5112088

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5449001/
http://dx.doi.org/10.3390/ma5112088

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