The electronic structure of the high-${\mathit{T}}_{\mathit{c}}$ copper oxides is calculated by means of an extended two-dimensional three-band Hubbard model in the unrestricted Hartree-Fock approximation. The influence of the coupling parameters on the obtained bands, as well as their doping dependence are investigated especially at the Fermi surface. Results are discussed in the light of recent experimental data for the cuprate Fermi surfaces. A comparative analysis of these conflicting data on the basis of our results sheds some light on the interpretation of the measured band structures. The direct oxygen-oxygen hopping interaction is found to be essential in fitting experimental results, suggesting that, in the doped regime, the oxygen band plays a key role at least in the near-${\mathit{E}}_{\mathit{F}}$ 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.

• Received 30 March 1995

DOI:https://doi.org/10.1103/PhysRevB.52.6920