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hal.structure.identifierChair of Radiochemistry, Department of Chemistry
dc.contributor.authorPRESNIAKOV, Igor
hal.structure.identifierChair of Radiochemistry, Department of Chemistry
dc.contributor.authorRUSAKOV, Viyacheslav S.
hal.structure.identifierChair of Radiochemistry, Department of Chemistry
dc.contributor.authorSOBOLEV, Alexey
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDEMAZEAU, Gérard
hal.structure.identifierChair of Radiochemistry, Department of Chemistry
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBARANOV, Alexey
hal.structure.identifierChair of Radiochemistry, Department of Chemistry
dc.contributor.authorGUBAIDULINA, Tatyana V.
dc.date.issued2009
dc.identifier.issn0036-0236
dc.description.abstractEnMössbauer spectroscopy has been applied for comparative study of the electronic state of probe iron atoms in perovskite-like nikelate LaNi0.9957Fe0.01O3 and cuprate LaCu0.9957Fe0.01O3 . The valence states of the 57Fe 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 57Fe 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 d9L configuration dominates the electronic state of the [CuO6]9- complex. The existence of one electron hole (L) on oxygen atoms leads to partial charge transfer from the doped iron atoms in the cuprate, Fe3+(d5) +O-(L)Fe4+(d4) +O2-. As a result, the ground state of the dopant cation-anion complex FeO6 can be represented as a superposition of configurations, d4 (55%) and d5L (45%).
dc.language.isoen
dc.publisherMAIK Nauka/Interperiodica
dc.title.enElectronic state of the <sup>57</sup>Fe probe atoms in perovskites LaMO<sub>3</sub> (M = Ni, Cu)
dc.typeArticle de revue
dc.identifier.doi10.1134/S0036023609120195
dc.subject.halChimie/Matériaux
bordeaux.journalRussian Journal of Inorganic Chemistry / Zhurnal Neorganicheskoi Khimii
bordeaux.page1957-1963
bordeaux.volume54
bordeaux.issue12
bordeaux.peerReviewedoui
hal.identifierhal-00551669
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00551669v1
bordeaux.COinSctx_ver=Z39.88-2004&amp;rft_val_fmt=info:ofi/fmt:kev:mtx:journal&amp;rft.jtitle=Russian%20Journal%20of%20Inorganic%20Chemistry%20/%20Zhurnal%20Neorganicheskoi%20Khimii&amp;rft.date=2009&amp;rft.volume=54&amp;rft.issue=12&amp;rft.spage=1957-1963&amp;rft.epage=1957-1963&amp;rft.eissn=0036-0236&amp;rft.issn=0036-0236&amp;rft.au=PRESNIAKOV,%20Igor&amp;RUSAKOV,%20Viyacheslav%20S.&amp;SOBOLEV,%20Alexey&amp;DEMAZEAU,%20G%C3%A9rard&amp;BARANOV,%20Alexey&amp;rft.genre=article


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