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Вид документа : Статья из журнала Шифр издания :
Автор(ы) : Korshunov M. M., Gavrichkov V. A., Ovchinnikov S. G., Pchelkina Z. V., Nekrasov I. A., Korotin M. A., Anisimov V. I.
Заглавие : Parameters of the effective singlet-triplet model for band structure of high-T-c cuprates by alternative approaches
Разночтения заглавия :авие SCOPUS: Parameters of the effective singlet-triplet model for band structure of high-Tc cuprates by alternative approaches
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2004. - Vol. 99, Is. 3. - P559-565. - ISSN 1063-7761, DOI 10.1134/1.1809685 Примечания : Cited References: 48
Предметные рубрики: DENSITY-FUNCTIONAL CALCULATION TIGHT-BINDING METHOD COPPER OXIDES ENERGY-BANDS SUPERCONDUCTORS HOLE LA2-XSRXCUO4 PLANE SR2CUO2CL2 INSULATORS Ключевые слова (''Своб.индексиров.''): band structure--carbon dioxide lasers--copper oxides--doping (additives)--parameter estimation--electron systems--generalized tight binding (gtb)--parameters extraction--singlet triplet model--technetium compounds Аннотация: 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. (C) 2004 MAIK "Nauka / Interperiodica".
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