Charge and orbital order in Fe3O4

I. Leonov, A. N. Yaresko, V. N. Antonov, M. A. Korotin, V. I. Anisimov

Research output: Contribution to journalArticlepeer-review

211 Citations (Scopus)

Abstract

Local spin density approximation along with Coulomb interaction correction method was used to investigate the charge ordering in the low-temperature monoclinic structure of magnetite Fe3O4. The differences between t2g minority occupancies of FeB2+ and FeB3+ cations were found to be large, which give the direct evidence for charge ordering. The screening was also found to be so effective such that the total 3d charge disproportion is rather small. The charge ordering was also found to have a pronounced [001] modulation, which is incompatible with the Anderson criterion.

Original languageEnglish
Article number146404
Pages (from-to)146404-1-146404-4
JournalPhysical Review Letters
Volume93
Issue number14
DOIs
Publication statusPublished - 1 Oct 2004
Externally publishedYes

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