Parameters of the Effective Singlet-Triplet Model for Band Structure of High-TcT_c Cuprates by Different Approaches

preprint2004arXivOpen access

Abstract

The present paper covers the problem of parameters determination for High-TcT_c superconductive copper oxides. Different approaches, {\it ab initio} LDA and LDA+U calculations and 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 CuO2CuO_2-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-TcT_c cuprates in the framework of effective models.

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