Role of electronic correlations in the Fermi surface formation of Na$_x$CoO$_2$

Details Role of electronic correlations in the Fermi surface formation of Na$_x$CoO$_2$ Role of electronic correlations in the Fermi surface formation of Na$_x$CoO$_2$

2007-05-10

arxiv.org/abs/0705.1408v2

JETP Letters 93, 80 (2011) [Pis'ma v ZhETF 93, 83 (2011)]

Physics

Condensed Matter

Strongly Correlated Electrons

6 pages, 2 figures

Scientific paper

10.1134/S0021364011020123

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.

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