Тип публикации: статья из журнала

Год издания: 2011

Аннотация: Band structure of metallic sodium cobaltate Na_xСоO₂ (x=0.33, 0.48, 0.61 0.72) has been investigated by local density approximation+Hubbard<i> U</i> (LDA+U) method and within Gutzwiller approximation for the Со-t_2g manifold. Correlation effects being taken into account results in suppression of the<i> e'</i>_<i>g</i><i></i> hole pockets at the Fermi surface in agreement with recent angle-resolved photo-emission spectroscopy (ARPES) experiments. In the Gutzwiller approximation the bilayer splitting is significantly reduced due to the correlation effects. The formation of high spin (HS) state in Co d-shell was shown to be very improbable.

Журнал: Письма в Журнал экспериментальной и теоретической физики

Выпуск журнала: Т. 93, № 2

Номера страниц: 83-87

ISSN журнала: 0370274X

Место издания: Москва

Издатель: Институт физических проблем им. П.Л. Капицы РАН, Российская академия наук

• Shorikov A. (Institute of Metal Physics Ural Division RAS)
• Korshunov M.M. (L.V. Kirensky Institute of Physics, Siberian Branch of R AS)
• Anisimov V.I. (Institute of Metal Physics Ural Division RAS)

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