Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeIIFeIIIO5

Johan Linden, Fredrik Lindroos, P. Karen, Guido Langouche (Editor)

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    Mössbauer spectra of charge-ordered/valence-mixed GdBaFe2O5 have been analyzed in order to determine the orbital occupancies of the minority-spin d electron as a function of temperature. In the charge-ordered state below the Verwey temperature TV, it occupies the Fe2+ dxz orbital, which is ordered. Above TV, the electron partially occurs also at the trivalent iron and spreads over two additional orbitals, dx2-y2 and dz2. In the valence-mixing state (above Tp) also orbital dyz participates. The study illustrates how the Mössbauer electric-field gradient, center shift and internal field jointly reflect the distribution of the minority-spin electron culprit behind the Verwey transition.
    Original languageUndefined/Unknown
    Pages (from-to)329–339
    JournalHyperfine Interactions
    Publication statusPublished - 2014
    MoE publication typeA1 Journal article-refereed


    • 57Fe Mössbauer spectroscopy
    • Charge ordering
    • Valence mixing
    • Mixed valence
    • Double perovskites

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