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Unrestricted Hartree-Fock approximation of the extended emery model
Authors:W. Essl and E. Sigmund
Affiliation:(1) Institut für Theoretische Physik, Postfach 101344, 03013 Cottbus, Germany
Abstract:We use an unrestricted self-consistent Hartree-Fock approach to calculate the nature of doping states in the three-band Hubbard model. It turns out that for physically relevant parameter values one hole is localized within a small spin-polarized region where five Cu spins are aligned in the same direction. The spin polarization and binding energy between these spinpolaronic states are investigated as a function of different parameters including a Holstein-type electron-phonon coupling on the Cu sites. At higher doping concentration we observe the occurrence of afmon states where the holes are localized in a ring-shaped area. Inside this ring the antiferromagnetic order parameter has inverse sign with respect to the residual antifer-romagnetically ordered plane.
Keywords:Emery model  Hartree-Fock approximation
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