Structural, Electronic, and Optical Properties of BiOX(1−x)Y(x) (X, Y = F, Cl, Br, and I) Solid Solutions from DFT Calculations

Six BiOX(1−x)Y(x) (X, Y = F, Cl, Br, and I) solid solutions have been systematically investigated by density functional theory calculations. BiOCl(1−x)Br(x), BiOBr(1−x)I(x), and BiOCl(1−x)I(x) solid solutions have very small bowing parameters; as such, some of their properties increase almost linear...

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Detalles Bibliográficos
Autores principales: Zhao, Zong-Yan, Liu, Qing-Lu, Dai, Wen-Wu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4994000/
https://www.ncbi.nlm.nih.gov/pubmed/27549344
http://dx.doi.org/10.1038/srep31449

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4994000/
https://www.ncbi.nlm.nih.gov/pubmed/27549344
http://dx.doi.org/10.1038/srep31449

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