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Magnetic Structure and Origin of Insulating Behavior in the Ba(2)CuOsO(6) System, and the Role of A-Site Ionic Size in Its Bandgap Opening: Density Functional Theory Approaches
The magnetic structure and the origin of band gap opening for Ba(2)CuOsO(6) were investigated by exploring the spin exchange interactions and employing the spin–orbit coupling effect. It revealed that the double-perovskite Ba(2)CuOsO(6), composed of the 3d (Cu(2+)) and 5d (Os(6+)) transition metal m...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746825/ https://www.ncbi.nlm.nih.gov/pubmed/35010095 http://dx.doi.org/10.3390/nano12010144 |