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Electronic theory for itinerant in-plane magnetic fluctuations in NaxCoO2 / M. M. Korshunov [et al.] // JETP Letters. - 2007. - Vol. 84, Is. 12. - P. 650-655, DOI 10.1134/S0021364006240040. - Cited References: 31
. - ISSN 0021-3640РУБ Physics, Multidisciplinary
Рубрики:
FERMI-SURFACE
ENERGY-BANDS
NACO2O4
Кл.слова (ненормированные):
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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
Tech Univ Carolo Wilhelmina Braunschweig, Inst Math Phys & Theoret Phys, D-38106 Braunschweig, Germany
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Max-Planck-Institut fur Physik Komplexer Systems, D-01187 Dresden, Germany
Institut fur Mathematische Physik and Theoretische Physik, TU Braunschweig, 38106 Braunschweig, Germany
Institute of Metal Physics, Ural Division, Russian Academy of Sciences, Yekaterinburg, GSP-170, 620041, Russian Federation
Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Eremin, I.; Shorikov, A.; Anisimov, V. I.
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