Ferromagnetic Half-Metal Cyanamides Cr(NCN)(2) Predicted from First Principles Investigation

The stability, physical properties, and electronic structures of Cr(NCN)(2) were studied using density functional theory with explicit electronic correlation (GGA+U). The calculated results indicate that Cr(NCN)(2) is a ferromagnetic and half-metal, both thermodynamically and elastically stable. A c...

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Detalles Bibliográficos
Autores principales: Wang, Zhilue, Qu, Shoujiang, Xiang, Hongping, He, Zhangzhen, Shen, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7216073/
https://www.ncbi.nlm.nih.gov/pubmed/32290419
http://dx.doi.org/10.3390/ma13081805

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7216073/
https://www.ncbi.nlm.nih.gov/pubmed/32290419
http://dx.doi.org/10.3390/ma13081805

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