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ELECTRONIC STATE OF THE 57FE PROBE ATOMS IN PEROVSKITES LAMO3 (M = NI, CU)статья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Presnyakov I.A., Rusakov V.S., Sobolev A.V., Baranov A.V., Gubaidulina T.V., Demazeau G.
- Журнал: Russian Journal of Inorganic Chemistry
- Том: 54
- Номер: 12
- Год издания: 2009
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 1957
- Последняя страница: 1963
- DOI: 10.1134/S0036023609120195
- Аннотация: Mossbauer spectroscopy has been applied for comparative study of the electronic state of probe iron atoms in perovskite-like nikelate (LaNi0.99Fe0.01O3)-Fe-57 and cuprate (LaCu0.99Fe0.01O3)-Fe-57. The valence states of the Fe-57 atoms in these isostructural matrices are significantly different. In the nikelate, the iron atoms are in one of its ordinary valence state Fe3+, whereas, in the cuprate, the iron atoms have the formal oxidation state +4, as follows from hyperfine coupling parameters. The observed differences between the valence states of the Fe-57 probe atoms are attributed to the different electronic structures of the Ni and Cu atoms in the perovskites. Configuration interaction calculations show that the major contribution to the electronic state of the cation-anion complex [NiO6](9-) in the nikelate is made by the d(7) configuration. For the cuprate, the d(9)(L) under bar configuration dominates the electronic state of the [CuO6](9-) complex. The existence of one electron hole ((L) under bar) on oxygen atoms leads to partial charge transfer from the doped iron atoms in the cuprate, Fe3+(d(5)) + O-((L) under bar) -> Fe4+(d(4)) + O2-. As a result, the ground state of the dopant cation-anion complex FeO6 can be represented as a superposition of configurations, d(4) (55%) and d(5)(L) under bar (45%).
- Добавил в систему: Пресняков Игорь Александрович