Spin and charge fluctuation in an extended Hubbard model of oxide superconductors
Aniket Bhattacharya, C. S. Wang
DOI 10.1103/PhysRevB.48.13949 · Physical Review B
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Abstract
Antiferromagnetic spin fluctuations and charge-transfer correlation are studied in an extended Hubbard model of cuprate superconductors. We have carried out finite-temperature Monte Carlo and variational Monte Carlo simulations of CuO2 lattices described by a three-band Hubbard model. Using parameters derived by local-density-functional theory, our results appear to be consistent with experimental data. At half-filling, we find strong antiferromagnetic correlation with large local moment on copper sites and evidence of a charge-transfer gap. Upon doping, the antiferromagnetic correlations decrease; the excess holes primarily go onto the oxygen sites, while additional electrons prefer the copper sites. Equal-time pairing correlation functions suggest that extended s-wave and d-wave pairing are possible in this model.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CuO2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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