Библиотека института физики им. Л.В. Киренского СО РАН

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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Eremin I., Shorikov A., Anisimov V. I.
Заглавие : Electronic theory for itinerant in-plane magnetic fluctuations in NaxCoO2
Разночтения заглавия :авие SCOPUS: Electronic theory for itinerant in-plane magnetic fluctuations in Na x CoO2
Место публикации : JETP Letters. - 2007. - Vol. 84, Is. 12. - P.650-655. - ISSN 0021-3640, DOI 10.1134/S0021364006240040
Примечания : Cited References: 31
Предметные рубрики: FERMI-SURFACE
ENERGY-BANDS
NACO2O4
Ключевые слова (''Своб.индексиров.''): 31.15.ar--71.10.-w--74.70.-b--75.40.cx
Аннотация: Starting from the ab initio band structure for Na (x) CoO2, we derive the single-electron energies and the effective tight-binding description for the t (2g) bands using a projection procedure. We find that, due to the presence of the next-nearest-neighbor hoppings, a local minimum in the electronic dispersion close to the Gamma point of the first Brillouin zone forms. Therefore, in addition to a large Fermi surface, an electron pocket close to the Gamma point emerges at high doping concentrations. The latter yields a new scattering channel resulting in the peak structure of the itinerant magnetic susceptibility at low momenta. This indicates an itinerant in-plane ferromagnetic state above a certain critical concentration x(m) , which is in agreement with neutron scattering data. Below x(m) , the magnetic susceptibility shows a tendency towards antiferromagnetic fluctuations. We estimate the value of 0.56 x(m) 0.68 within the rigid band model and within the Hubbard model with infinite on-site Coulomb repulsion consistent with the experimental phase diagram.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Eremin I., Shorikov A., Anisimov V. I., Renner M., Brenig W.
Заглавие : Itinerant in-plane magnetic fluctuations and many-body correlations in NaxCoO2
Разночтения заглавия :авие SCOPUS: Itinerant in-plane magnetic fluctuations and many-body correlations in Nax Co O2
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2007. - Vol. 75, Is. 9. - Ст.94511. - ISSN 1098-0121, DOI 10.1103/PhysRevB.75.094511
Примечания : Cited References: 47
Предметные рубрики: TRANSITION-METALS
WAVE-FUNCTIONS
HUBBARD-MODEL
FERMI-SURFACE
ENERGY-BANDS
FERROMAGNETISM
APPROXIMATION
DIMENSIONS
SYSTEMS
FIELD
Аннотация: Based on the ab initio band structure for NaxCoO2, we derive the single-electron energies and the effective tight-binding description for the t(2g) bands using projection procedure. Due to the presence of the next-nearest-neighbor hoppings, a local minimum in the electronic dispersion close to the Gamma point of the first Brillouin zone forms. Correspondingly, in addition to a large Fermi surface, an electron pocket close to the Gamma point emerges at high doping concentrations. The latter yields a scattering channel, resulting in a peak structure of the itinerant magnetic susceptibility at small momenta. This indicates dominant itinerant in-plane ferromagnetic fluctuations above a certain critical concentration x(m), in agreement with neutron scattering data. Below x(m), the magnetic susceptibility shows a tendency toward the antiferromagnetic fluctuations. We further analyze the many-body effects on the electronic and magnetic excitations using various approximations applicable for different U/t ratios.
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