Hartree-Fock study of charge-ordered states in La2-xSrxCuO4 and La2-xSrxNiO4

Takashi Mizokawa, A. Fujimori

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

Charge ordering in La2-xSrxMO4 (M=Cu 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 CuO2 square plane are favored in the cuprates with a charge-transfer energy Δ ∼2 eV, the diagonal stripes are stable in the nickelates with Δ ∼4 eV. It has been found that the metal-centered diagonal 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 Ni2+ and Ni3+ is calculated to be ferromagnetic. The stabilization of the various charge-ordered states by the elongation and tilting of the MO6 octahedra has also been studied.

Original languageEnglish
Pages (from-to)11920-11924
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume56
Issue number18
Publication statusPublished - 1997 Nov 1
Externally publishedYes

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cuprates
Metals
metals
elongation
Charge transfer
Elongation
Stabilization
stabilization
charge transfer
energy
Direction compound

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Hartree-Fock study of charge-ordered states in La2-xSrxCuO4 and La2-xSrxNiO4. / Mizokawa, Takashi; Fujimori, A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 56, No. 18, 01.11.1997, p. 11920-11924.

Research output: Contribution to journalArticle

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