Estimations of the isomer shifts for tetraoxoferrates

O. Poleshchuk, N. Kruchkova, Yu Perfiliev, S. Dedushenko

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    3 Citations (Scopus)


    57Fe isomer shifts and the electron density on iron nucleus for a range of tetraoxoferrate ions have been analyzed by means of DFT calculations. The bond lengths and the electron density on the nucleus obtained by our calculations substantially corresponded to the known structural and Mössbauer data. For ferrates the isomer shift depends on the 4s-orbital population. The results obtained allowed us to estimate the isomer shifts for tetraoxoferrate(VII), KFeO4, and iron(VIII) oxide, FeO4.

    Original languageEnglish
    Article number012041
    JournalJournal of Physics: Conference Series
    Issue number1
    Publication statusPublished - 2010

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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