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Parameters of the effective singlet-triplet model for band structure of high-T-c cuprates by alternative approaches / M. M. Korshunov [et al.] // J. Exp. Theor. Phys. - 2004. - Vol. 99, Is. 3. - P. 559-565, DOI 10.1134/1.1809685. - Cited References: 48 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
DENSITY-FUNCTIONAL CALCULATION
   TIGHT-BINDING METHOD
   COPPER OXIDES
   ENERGY-BANDS
   SUPERCONDUCTORS
   HOLE
   LA2-XSRXCUO4
   PLANE
   SR2CUO2CL2
   INSULATORS
Кл.слова (ненормированные):
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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Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Institute of Metal Physics, Ural Division, Russian Academy of Sciences, Ekaterinburg, 620219, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Pchelkina, Z. V.; Nekrasov, I. A.; Korotin, M. A.; Anisimov, V. I.
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Gavrichkov, V. A.
Polarized ARPES spectra of undoped cuprates / V. A. Gavrichkov, A. A. Borisov, S. G. Ovchinnikov // Phys. Solid State. - 2001. - Vol. 43, Is. 10. - P. 1876-1884, DOI 10.1134/1.1410625. - Cited References: 15 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   COPPER OXIDES
   PHOTOEMISSION
   EVOLUTION
   MODEL
   HOLE
Аннотация: The spectral density (SD) in the ARPES spectra of anti ferromagnetic (AFM) dielectrics Sr2CuO2Cl2 and Ca2CuO2Cl2 along the principal symmetry directions of the Brillouin zone was studied by the generalized tight binding method. At the valence band top of these undoped cuprates in the AFM state, there is a pseudogap of magnetic nature with E-s(k) similar to 0-0.4 eV between a virtual level and the valence band proper. The observed similarity of dispersion along the Gamma -M and X-Y directions can be explained by the proximity of the B-3(1g) triplet and the Zhang-Rice singlet levels. The value of parity of the polarized ARPES spectra at the Gamma, M, and X points calculated for the AFM phase of undoped cuprates with an allowance for the partial contributions is even. The conditions favoring observation of the partial contributions in polarized ARPES spectra are indicated. Due to the spin fluctuations, the virtual level acquires dispersion and possesses a small spectral weight. Probably, this level cannot be resolved on the background of the main quasi-particle peak as a result of the damping effects. (C) 2001 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Borisov, A. A.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
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Ovchinnikov, S. G.
EFFECT OF ANTIFERROMAGNETIC ORDERING ON ZONE STRUCTURE OF LA2CUO4 / C. G. OVCHINNIKOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1995. - Vol. 107, Is. 3. - P. 796-811. - Cited References: 42 . - ISSN 0044-4510