https://doi.org/10.1007/s100510050878
Effective Hubbard model for Zn-doped CuO2 plane
1
Faculty of Natural Science and Mathematics,
University of Montenegro,
PO Box 211, 81001 Podgorica, Yugoslavia
2
Institute for Theoretical Physics, University of Technology Dresden,
01062 Dresden, Germany
3
Joint Institute for Nuclear Research, 141980 Dubna, Russia
4
Max Planck Institut for the Physics of Complex Systems,
Nöthnitzer Strasse 38, 01187 Dresden, Germany
Corresponding author: a roland@tmps16.mpg.tu-dresden.de
Received:
17
November
1998
Published online: 15 August 1999
In the framework of the cell-perturbation method for the original p-d model an effective two-band Hubbard model for the CuO2 plane with Zn impurities is derived. Zn impurities are modelled by Wannièr oxygen one-hole states at vacant Cu sites. The model is based on the results of band structure calculations carried out within the local-density approximation. Further reduction to an extended t-J model shows a large ferromagnetic superexchange interaction between the Cu spin with the nearest virtual oxygen spin in the Zn cell.
PACS: 71.27.+a – Strongly correlated electron systems; heavy fermions / 71.55.-i – Impurity and defect levels / 74.72.-h – High-Tc compounds
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
