ZhETF, Vol. 126,
p. 642 (September 2004)
(English translation - JETP,
Vol. 99, No. 3,
available online at www.springer.com
PARAMETERS OF THE EFFECTIVE SINGLET-TRIPLET MODEL FOR BAND STRUCTURE OF HIGH-Tc CUPRATES BY VARIOUS APPROACHES
Korshunov M.M., Gavrichkov V.A., Ovchinnikov S.G., Pchelkina Z.V., Nekrasov I.A., Korotin M.A., Anisimov V.I.
Received: December 2, 2003
PACS: 74.72.h, 74.20.z, 74.25.Jb, 31.15.Ar
We consider the problem of determining the parameters for high-Tc superconducting copper oxides. Various approaches, the ab initio LDA and LDA + U calculations and the generalized tight-binding (GTB) method for strongly correlated electron systems, are used to calculate hopping and exchange parameters of the effective singlet-triplet model for the CuO2 layer. The resulting parameters are in remarkably good agreement with each other and with parameters extracted from experiment. This set of parameters is proposed for proper quantitative description of physics of hole-doped high-Tc cuprates in the framework of effective models.