First-Principles Study of Fe-Mo Double Perovskites
We have studied the Sr2 Fe1+x Mo1−x O6 compound using first-principles density functional theory. The calculations were done within the generalized gradient approximation scheme and with the Perdew-Burke-Ernzerhof functional. A detailed analysis on the bonding or antibonding character of the Fe and...
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| Published in: | Revista Mexicana de Física |
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| Main Authors: | , , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
Sociedad Mexicana de Física A.C.
2012
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| Subjects: | |
| Online Access: | https://www.redalyc.org/articulo.oa?id=57030392043 |
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