Spin and charge fluctuation in an extended Hubbard model of oxide superconductors

Journal Article · Mon Nov 01 00:00:00 EST 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.48.13949· OSTI ID:5990650

Bhattacharya, A; Wang, C S ^[1]

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1. Department of Physics and Center for Superconductivity Research, University of Maryland, College Park, Maryland 20742 (United States)

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 CuO[sub 2] 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 [ital s]-wave and [ital d]-wave pairing are possible in this model.

• OSTI ID: 5990650
• Journal Information: Physical Review, B: Condensed Matter; (United States), Vol. 48:18; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
HIGH-TC SUPERCONDUCTORS
HUBBARD MODEL
FLUCTUATIONS
ANTIFERROMAGNETISM
CHARGE EXCHANGE
COMPUTERIZED SIMULATION
CUPRATES
MONTE CARLO METHOD
VARIATIONAL METHODS
CALCULATION METHODS
COPPER COMPOUNDS
CRYSTAL MODELS
MAGNETISM
MATHEMATICAL MODELS
OXYGEN COMPOUNDS
SIMULATION
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
VARIATIONS
665411* - Basic Superconductivity Studies- (1992-)