Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeIIFeIIIO5

Johan Linden; Fredrik Lindroos; P. Karen; Guido Langouche

doi:10.1007/s10751-013-0973-8

Iron orbital occupancies upon valence mixing of charge-ordered GdBaFe^IIFe^IIIO₅

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

Doctoral Education Network in Material Research

Research output: Contribution to journal › Article › Scientific › peer-review

2 Citations (Scopus)

Abstract

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 T_V, it occupies the Fe²⁺ d_xz orbital, which is ordered. Above T_V, the electron partially occurs also at the trivalent iron and spreads over two additional orbitals, d_x²-y² and d_z². In the valence-mixing state (above T_p) also orbital d_yz 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 language	English
Pages (from-to)	329–339
Journal	Hyperfine Interactions
Volume	226
DOIs	https://doi.org/10.1007/s10751-013-0973-8
Publication status	Published - 2014
MoE publication type	A1 Journal article-refereed

Keywords

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

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10.1007/s10751-013-0973-8

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@article{f575ebd2b01742b9b28ff2f0af42748b,

title = "Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeIIFeIIIO5",

abstract = "M{\"o}ssbauer 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 M{\"o}ssbauer electric-field gradient, center shift and internal field jointly reflect the distribution of the minority-spin electron culprit behind the Verwey transition.",

keywords = "57Fe M{\"o}ssbauer spectroscopy, Charge ordering, Valence mixing, Mixed valence, Double perovskites, 57Fe M{\"o}ssbauer spectroscopy, Charge ordering, Valence mixing, Mixed valence, Double perovskites, 57Fe M{\"o}ssbauer spectroscopy, Charge ordering, Valence mixing, Mixed valence, Double perovskites",

author = "Johan Linden and Fredrik Lindroos and P. Karen and Guido Langouche",

note = "Proceedings of the 32nd International Conference on the Applications of the M{\"o}ssbauer Effect (ICAME 2013) held in Opatija, Croatia, 1–6 September 2013. fys.",

year = "2014",

doi = "10.1007/s10751-013-0973-8",

language = "English",

volume = "226",

pages = "329–339",

journal = "Hyperfine Interactions",

issn = "0304-3843",

publisher = "Springer",

}

TY - JOUR

T1 - Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeIIFeIIIO5

AU - Linden, Johan

AU - Lindroos, Fredrik

AU - Karen, P.

A2 - Langouche, Guido

N1 - Proceedings of the 32nd International Conference on the Applications of the Mössbauer Effect (ICAME 2013) held in Opatija, Croatia, 1–6 September 2013. fys.

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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.

KW - 57Fe Mössbauer spectroscopy

KW - Charge ordering

KW - Valence mixing

KW - Mixed valence

KW - Double perovskites

KW - 57Fe Mössbauer spectroscopy

KW - Charge ordering

KW - Valence mixing

KW - Mixed valence

KW - Double perovskites

KW - 57Fe Mössbauer spectroscopy

KW - Charge ordering

KW - Valence mixing

KW - Mixed valence

KW - Double perovskites

U2 - 10.1007/s10751-013-0973-8

DO - 10.1007/s10751-013-0973-8

M3 - Article

SN - 0304-3843

VL - 226

SP - 329

EP - 339

JO - Hyperfine Interactions

JF - Hyperfine Interactions

ER -

Iron orbital occupancies upon valence mixing of charge-ordered GdBaFeIIFeIIIO5

Abstract

Keywords

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Iron orbital occupancies upon valence mixing of charge-ordered GdBaFe^IIFe^IIIO₅