/ M. M. Korshunov [et al.]> // Phys. Rev. B. - 2007. -
Vol. 75,
Is. 9. - Ст. 94511,
DOI 10.1103/PhysRevB.75.094511. - Cited References: 47
. - ISSN 1098-0121
РУБ Physics, Condensed Matter
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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Держатели документа: Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
Tech Univ Braunschweig, Inst Math & Theoret Phys, D-38106 Braunschweig, Germany
Russian Acad Sci, Ural Div, Inst Met Phys, Yetaterinburg 620041, Russia
ИФ СО РАН
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Max-Planck-Institut fur Physik Komplexer Systeme, D-01187 Dresden, Germany
Institute fur Mathematische und Theoretische Physik, TU Braunschweig, 38106 Braunschweig, Germany
Institute of Metal Physics, Russian Academy of Sciences, Ural Division, 620041 Yekaterinburg GSP-170, Russian Federation
Доп.точки доступа: Korshunov, M. M.; Коршунов, Максим Михайлович; Eremin, I.; Shorikov, A.; Anisimov, V. I.; Renner, M.; Brenig, W.