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JOURNALS // Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki // Archive

Pis'ma v Zh. Èksper. Teoret. Fiz., 2011 Volume 93, Issue 2, Pages 83–87 (Mi jetpl1810)

This article is cited in 7 papers

CONDENSED MATTER

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

A. Shorikova, M. M. Korshunovbc, V. I. Anisimova

a Institute of Metal Physics Ural Division RAS, 620219 Yekaterinburg GSP-170, Russia
b Max-Planck-Institut für Physik komplexer Systeme, D-01187 Dresden, Germany
c L. V. Kirensky Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk, Russia

Abstract: Band structure of metallic sodium cobaltate Na$_x$CO$_2$ ($x$ = 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.

Received: 06.12.2010

Language: English


 English version:
Journal of Experimental and Theoretical Physics Letters, 2011, 93:2, 80–85

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