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Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT software program, utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of...

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Detalles Bibliográficos
Autores principales:	Castillo-Quevedo, César, Cabellos, Jose Luis, Aceves, Raul, Núñez-González, Roberto, Posada-Amarillas, Alvaro
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7579127/ https://www.ncbi.nlm.nih.gov/pubmed/32993129 http://dx.doi.org/10.3390/ma13194300

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