Self-energy correction to unrestricted Hartree-Fock solutions of lattice models for transition-metal oxides

T. Mizokawa, A. Fujimori

研究成果: Article査読

38 被引用数 (Scopus)

抄録

In order to explain the excitation properties of (Formula presented) transition-metal oxides in a unified framework, we have performed second-order perturbation calculations of the self-energy corrections around the unrestricted Hartree-Fock solution of lattice models using the electronic-structure parameters deduced from photoemission spectroscopy. The self-energy modifies the magnitude of the band gap and causes substantial spectral weight transfer over a wide energy range both in insulating and metallic compounds of the Mott-Hubbard type as well as of the charge-transfer type, resulting in an improved agreement between theory and experiment.

本文言語English
ページ(範囲)R4201-R4204
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
53
8
DOI
出版ステータスPublished - 1996 1 1
外部発表はい

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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