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Springer Verlag, JETP Letters, 2(93), p. 80-85

DOI: 10.1134/s0021364011020123

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Role of electronic correlations in the Fermi surface formation of Na x CoO2

Journal article published in 2011 by A. Shorikov, M. M. Korshunov ORCID, V. I. Anisimov
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Band structure of metallic sodium cobaltate Na$_x$CoO$_2$ ($x$=0.33, 0.48, 0.61 0.72) has been investigated by local density approximation+Hubbard $U$ (LDA+$U$) method and within Gutzwiller approximation for the Co-$t_{2g}$ manifold. Correlation effects being taken into account results in suppression of the $e'_g$ 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. ; Comment: 6 pages, 2 figures