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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| 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 |