Spin and charge ordering in self-doped Mott insulators

T. Mizokawa, D. Khomskii, G. Sawatzky

Research output: Contribution to journalArticlepeer-review

171 Citations (Scopus)


We have investigated possible spin and charge ordered states in (Formula presented) transition-metal oxides with small or negative charge-transfer energy, which can be regarded as self-doped Mott insulators, using Hartree-Fock calculations on (Formula presented)-type lattice models. It was found that an antiferromagnetic state with charge ordering in oxygen (Formula presented) orbitals is favored for relatively large charge-transfer energy and may be relevant for (Formula presented) and (Formula presented) On the other hand, an antiferromagnetic state with charge ordering in transition-metal (Formula presented) orbitals tends to be stable for highly negative charge-transfer energy and can be stabilized by the breathing-type lattice distortion; this is probably realized in (Formula presented).

Original languageEnglish
Pages (from-to)11263-11266
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number17
Publication statusPublished - 2000
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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