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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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