Abstract

Mossbauer 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, \(d_{x^{2}-y^{2}}\) and \(d_{z^{2}}\). In the valence-mixing state (above Tp) also orbital dyz participates. The study illustrates how the Mossbauer electric-field gradient, center shift and internal field jointly reflect the distribution of the minority-spin electron culprit behind the Verwey transition.

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