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 language | English |
|---|---|
| Pages (from-to) | 8873-8878 |
| Number of pages | 6 |
| Journal | Physical Review B |
| Volume | 38 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 1988 |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Carrier location in high-Tc superconductors and the degree of cu-o covalency. / Stechel, Ellen; Jennison, D. R.
In: Physical Review B, Vol. 38, No. 13, 1988, p. 8873-8878.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Carrier location in high-Tc superconductors and the degree of cu-o covalency
AU - Stechel, Ellen
AU - Jennison, D. R.
PY - 1988
Y1 - 1988
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.38.8873
DO - 10.1103/PhysRevB.38.8873
M3 - Article
AN - SCOPUS:0042285401
VL - 38
SP - 8873
EP - 8878
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 13
ER -