Hartree-Fock study of charge-ordered states in and

T. Mizokawa, A. Fujimori

研究成果: Article査読

23 被引用数 (Scopus)

抄録

Charge ordering in (Formula presented) ((Formula presented) and Ni) has been studied by means of unrestricted Hartree-Fock calculations. The present calculations show that, while the vertical charge stripes along the (1,0) direction of the (Formula presented) square plane are favored in the cuprates with a charge-transfer energy Δ (Formula presented) the diagonal stripes are stable in the nickelates with Δ (Formula presented) It has been found that the metal-centered and oxygen-centered stripes are nearly degenerate in energy both in the cuprates and in the nickelates. In the metal-centered diagonal stripe of the nickelates, the coupling between (Formula presented) and (Formula presented) is calculated to be ferromagnetic. The stabilization of the various charge-ordered states by the elongation and tilting of the (Formula presented) octahedra has also been studied.

本文言語English
ページ(範囲)11920-11924
ページ数5
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
56
18
DOI
出版ステータスPublished - 1997 1 1
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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