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Recent Insights Into Electronic Performance, Magnetism and Exchange Splittings in the Cr-substituted CaO
The first-principles computations of density functional theory are employed to characterize the structural properties, electronic structures, and ferromagnetism induced by Cr impurities in Ca(1-x)Cr(x)O compounds at concentrations x = 0. 25, 0.5, and 0.75. The dynamic stability is performed by the p...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7365907/ https://www.ncbi.nlm.nih.gov/pubmed/32754573 http://dx.doi.org/10.3389/fchem.2020.00526 |