ELECTRONIC-STRUCTURE AND FERMI-SURFACE OF THE 2-DIMENSIONAL 3-BAND HUBBARD-MODEL IN DOPED CUPRATES

Citation
Mpl. Sancho et al., ELECTRONIC-STRUCTURE AND FERMI-SURFACE OF THE 2-DIMENSIONAL 3-BAND HUBBARD-MODEL IN DOPED CUPRATES, Physical review. B, Condensed matter, 52(9), 1995, pp. 6920-6928
Citations number
41
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
52
Issue
9
Year of publication
1995
Pages
6920 - 6928
Database
ISI
SICI code
0163-1829(1995)52:9<6920:EAFOT2>2.0.ZU;2-2
Abstract
The electronic structure of the high-T-c copper oxides is calculated b y means of an extended two-dimensional three-band Hubbard model in the unrestricted Hartree-Fock approximation. The influence of the couplin g parameters on the obtained bands, as well as their doping dependence are investigated especially at the Fermi surface. Results are discuss ed in the light of recent experimental data for the cuprate Fermi surf aces. A comparative analysis of these conflicting data on the basis of our results sheds some light on the interpretation of the measured ba nd structures. The direct oxygen-oxygen hopping interaction is found t o be essential in fitting experimental results, suggesting that, in th e doped regime, the oxygen band plays a key role at least in the near- Ep region. Antiferromagnetic correlations among copper atoms turn out as well to be crucial. The results agree remarkably well with previous local-density calculations and with spectroscopic measurements.