Estimations of the isomer shifts for tetraoxoferrates

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

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    Abstract

    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
    Volume217
    Issue number1
    DOIs
    Publication statusPublished - 2010

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    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

    Poleshchuk, O., Kruchkova, N., Perfiliev, Y., & Dedushenko, S. (2010). Estimations of the isomer shifts for tetraoxoferrates. Journal of Physics: Conference Series, 217(1), [012041]. https://doi.org/10.1088/1742-6596/217/1/012041