Ab-initio Study of structural, elastic, electronic and optical properties of hexahalometallate single crystals K(2)XBr(6)(X = Se, Pt)

Some physical properties of hexahalometallate K(2)XBr(6)(X = Se, Pt) were computed in the zinc blend structure using GGA-PBESOL. The cell constant of K(2)SeBr(6) and K(2)PtBr(6) is consistent to the experiment value quoted in the literature, where the error is 0.95% and 1%. K(2)SeBr(6) and K(2)PtBr(...

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Detalles Bibliográficos
Autores principales: Naceur, Y., Bourbaba, H., Ghebouli, M. A., Krache, L., Ghebouli, B., Chihi, T., Fatmi, M., Alomairy, Sultan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9117211/
https://www.ncbi.nlm.nih.gov/pubmed/35585244
http://dx.doi.org/10.1038/s41598-022-12570-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9117211/
https://www.ncbi.nlm.nih.gov/pubmed/35585244
http://dx.doi.org/10.1038/s41598-022-12570-1

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