Unrestricted Hartree-Fock approximation of the extended emery model |
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Authors: | W. Essl and E. Sigmund |
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Affiliation: | (1) Institut für Theoretische Physik, Postfach 101344, 03013 Cottbus, Germany |
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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. |
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Keywords: | Emery model Hartree-Fock approximation |
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