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arxiv: 0705.1408 · v2 · pith:4CJ2MO34new · submitted 2007-05-10 · ❄️ cond-mat.str-el · cond-mat.supr-con

Role of electronic correlations in the Fermi surface formation of Na_xCoO₂

classification ❄️ cond-mat.str-el cond-mat.supr-con
keywords approximationcorrelationeffectsfermiformationgutzwillersurfaceaccount
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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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