Carrier location in high-superconductors and the degree of cu-o covalency
- 1 November 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 38 (13) , 8873-8878
- https://doi.org/10.1103/physrevb.38.8873
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 Cu sheets. Because the virtual state involving the copper 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 orbital, rather than by the orbital which is favored by the Madelung potential. Our previous conclusions concerning the carrier quasiparticles are supported by these calculations.
Keywords
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