skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

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 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.

Authors:
;  [1]
  1. Department of Physics and Center for Superconductivity Research, University of Maryland, College Park, Maryland 20742 (United States)
Publication Date:
OSTI Identifier:
5990650
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter; (United States)
Additional Journal Information:
Journal Volume: 48:18; Journal ID: ISSN 0163-1829
Country of Publication:
United States
Language:
English
Subject:
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-)

Citation Formats

Bhattacharya, A, and Wang, C S. Spin and charge fluctuation in an extended Hubbard model of oxide superconductors. United States: N. p., 1993. Web. doi:10.1103/PhysRevB.48.13949.
Bhattacharya, A, & Wang, C S. Spin and charge fluctuation in an extended Hubbard model of oxide superconductors. United States. https://doi.org/10.1103/PhysRevB.48.13949
Bhattacharya, A, and Wang, C S. 1993. "Spin and charge fluctuation in an extended Hubbard model of oxide superconductors". United States. https://doi.org/10.1103/PhysRevB.48.13949.
@article{osti_5990650,
title = {Spin and charge fluctuation in an extended Hubbard model of oxide superconductors},
author = {Bhattacharya, A and Wang, C S},
abstractNote = {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.},
doi = {10.1103/PhysRevB.48.13949},
url = {https://www.osti.gov/biblio/5990650}, journal = {Physical Review, B: Condensed Matter; (United States)},
issn = {0163-1829},
number = ,
volume = 48:18,
place = {United States},
year = {Mon Nov 01 00:00:00 EST 1993},
month = {Mon Nov 01 00:00:00 EST 1993}
}