Carrier location in high-Tc superconductors and the degree of cu-o covalency

E. B. Stechel, D. R. Jennison

Research output: Contribution to journalArticle

48 Scopus citations

Abstract

We exactly solve a realistic three-band extended Hubbard model for the ground and low-lying excited states of a variety of finite clusters representing CuO2 sheets. Because the virtual state involving the copper d10 valence fluctuation has its energy sharply lowered by the presence of a carrier hole, a strong stabilization results if the carrier holes are in oxygen orbitals that are strongly coupled to the copper sites: For example, in spite of strong correlation, at carrier densities of interest and with a reasonable choice of energy parameters, the carrier hole wave function is dominated by the porbital, rather than by the p orbital which is favored by the Madelung potential. Our previous conclusions concerning the carrier quasiparticles are supported by these calculations.

Original languageEnglish (US)
Pages (from-to)8873-8878
Number of pages6
JournalPhysical Review B
Volume38
Issue number13
DOIs
StatePublished - Jan 1 1988
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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