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Ab initio investigation of CaO-ZnO alloys under high pressure

Ca(x)Zn(1–x)O alloys are potential candidates to achieve wide band-gap, which might significantly promote the band gap engineering and heterojunction design. We performed a crystal structure search for CaO-ZnO system under pressure, using an ab initio evolutionary algorithm implemented in the USPEX...

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Detalles Bibliográficos
Autores principales:	Sha, Xiaojing, Tian, Fubo, Li, Da, Duan, Defang, Chu, Binhua, Liu, Yunxian, Liu, Bingbing, Cui, Tian
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2015
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4505315/ https://www.ncbi.nlm.nih.gov/pubmed/26183060 http://dx.doi.org/10.1038/srep11003

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