1. Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeFeO.
- Author
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Lindén, J., Lindroos, F., and Karen, P.
- Subjects
- *
GADOLINIUM compounds , *IRON oxides , *MIXING , *EFFECT of temperature on metals , *MOSSBAUER spectroscopy , *PEROVSKITE - Abstract
Mössbauer spectra of charge-ordered/valence-mixed GdBaFeO 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 T, it occupies the Fe d orbital, which is ordered. Above T, 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 T) also orbital d 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. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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