Abstract
Hole states in the antiferromagnetically ordered CuO2 planes of cuprate perovskites are calculated within the three-band Hubbard model and with a self-consistent calculation of the Cu spin polarization. It is found that in the low doping limit the spin-polaron and the free-hole states are separated by a barrier of energy ~ 0.05eV. At finite dopings the spin-polaron states become less favorable and at high doping they turn out to be metastable. In case of high mobility of donors a phase separation of the charge carriers into domains with a local hole concentration c ~ 0.5. takes place. This explains experimentally observed formation of stripe domains with local hole concentrations c = 0.5.
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Shelkan, A., Hizhnyakov, V., Seibold, G., Sigmund, E. (2001). Free and Spin-Polaron States in High T C Superconductors. In: Kaplan, M.D., Zimmerman, G.O. (eds) Vibronic Interactions: Jahn-Teller Effect in Crystals and Molecules. NATO Science Series, vol 39. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0985-0_45
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DOI: https://doi.org/10.1007/978-94-010-0985-0_45
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