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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| Опубликовано в:: | Revista Mexicana de Física |
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| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Sociedad Mexicana de Física A.C.
2012
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| Предметы: | |
| Online-ссылка: | https://www.redalyc.org/articulo.oa?id=57030392043 |
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