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Charge-Orbital Ordering and Verwey Transition in Magnetite

Jeng, Horng-Tay, Guo, G. Y., Huang, D. J.·2004·Physical Review Letters

Abstract

$\mathrm{\text{Local density approximation}}+\mathrm{\text{Hubbard}}\text{ }\text{ }\mathrm{U}$ ($\mathrm{L}\mathrm{D}\mathrm{A}+U$) band structure calculations reveal that magnetite (${\mathrm{F}\mathrm{e}}_{3}{\mathrm{O}}_{4}$) forms an insulating charge-orbital-ordered state below the Verwey transition temperature. The calculated charge ordering is in good agreement with that inferred from recent experiments. We found an associated ${t}_{2g}$ orbital ordering on the octahedral ${\mathrm{F}\mathrm{e}}^{2+}$ sublattice. Such an orbital ordering results primarily from the on-site Coulomb interaction. This finding unravels such fundamental issues about the Verwey transition as the mechanism for the charge ordering and for the formation of the insulating gap, as well as the nonobedience of the Anderson's criterion for the charge ordering.

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Metadata

Authors
Jeng, H.-T., Guo, G. Y., & Huang, D. J.
Venue
Physical Review Letters
Published
2004-10-05
Volume
93
Issue
15
Pages
156403-156403
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W1975621601
Cited by
274
References
21
FWCI
8.04
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Charge-Orbital Ordering and Verwey Transition in Magnetite. https://app.cochat.ai/papers/10.1103/physrevlett.93.156403
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Jeng, H.-T., Guo, G. Y., & Huang, D. J. (2004). Charge-Orbital Ordering and Verwey Transition in Magnetite. Physical Review Letters. https://doi.org/10.1103/physrevlett.93.156403

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