Parameters of the effective singlet-triplet model for band structure of high-T c cuprates by alternative approaches

2004/02/16 by M. M. Korshunov, V. A. Gavrichkov, A. Gavrichkov +7 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #cond-mat.supr-con

paper · pdf · doi:10.1134/1.1809685

published as JETP 99, 559 (2004) · PACS 74.72.h; 74.20.z; 74.25.Jb; 31.15.Ar

arxiv created 2004/02/16 · openalex publication_date 2004/09/01 · arxiv updated 2011/06/22 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/30

Abstract

We consider the problem of determining the parameters for high-T c superconducting copper oxides. Alternative 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 the physics of hole-doped high-T c cuprates in the framework of effective models.

Citations

• Doping-dependent quasiparticle band structure in cuprate superconductors
• Doping dependence of chemical potential and entropy in hole- and electron-doped high-Tccuprates
• Density-functional calculation of effective Coulomb interactions in metals
• Electron correlations in narrow energy bands
• Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
• Charge transfer excitations and superconductivity in “ionic” metals

Cited by

• Comparative study of electron- and hole-doped high-Tc compounds in pseudogap regime: LDA+DMFT+Σk approach