Spin and charge ordering in self-doped Mott insulators

Takashi Mizokawa, D. I. Khomskii, G. A. Sawatzky

Research output: Contribution to journalArticle

112 Citations (Scopus)

Abstract

We have investigated possible spin and charge ordered states in 3d transition-metal oxides with small or negative charge-transfer energy, which can be regarded as self-doped Mott insulators, using Hartree-Fock calculations on d-p-type lattice models. It was found that an antiferromagnetic state with charge ordering in oxygen 2p orbitals is favored for relatively large charge-transfer energy and may be relevant for PrNiO3 and NdNiO3. On the other hand, an antiferromagnetic state with charge ordering in transition-metal 3d 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 YNiO3.

Original languageEnglish
Pages (from-to)11263-11266
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume61
Issue number17
Publication statusPublished - 2000
Externally publishedYes

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Charge transfer
charge transfer
insulators
Transition metals
transition metals
orbitals
breathing
Oxides
metal oxides
energy
Oxygen
oxygen

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Spin and charge ordering in self-doped Mott insulators. / Mizokawa, Takashi; Khomskii, D. I.; Sawatzky, G. A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 61, No. 17, 2000, p. 11263-11266.

Research output: Contribution to journalArticle

Mizokawa, Takashi ; Khomskii, D. I. ; Sawatzky, G. A. / Spin and charge ordering in self-doped Mott insulators. In: Physical Review B - Condensed Matter and Materials Physics. 2000 ; Vol. 61, No. 17. pp. 11263-11266.
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