Half-Metallic Property Induced by Double Exchange Interaction in the Double Perovskite Bi(2)BB′O(6) (B, B′ = 3d Transitional Metal) via First-Principles Calculations

In this paper, we identify three possible candidate series of half-metals (HM) from Bi-based double perovskites Bi(2)BB′O(6) (BB′ = transition metal ions) through calculations utilizing the density functional theory (DFT) and full-structural optimization, in which the generalized gradient approximat...

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Detalles Bibliográficos
Autores principales: Lin, Hong-Zong, Hu, Chia-Yang, Lee, Po-Han, Yan, Albert Zhong-Ze, Wu, Wen-Fang, Chen, Yang-Fang, Wang, Yin-Kuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600965/
https://www.ncbi.nlm.nih.gov/pubmed/31174337
http://dx.doi.org/10.3390/ma12111844

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600965/
https://www.ncbi.nlm.nih.gov/pubmed/31174337
http://dx.doi.org/10.3390/ma12111844

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