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arXiv · 0901.1834

Dynamical mean field theory of an effective three-band model for Na$_x$CoO$_2$

A. Bourgeois·A. A. Aligia·M. J Rozenberg
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Abstract

We derive an effective Hamiltonian for highly correlated $t_{2g}$ states centered at the Co sites of Na$_x$CoO$_2$. The essential ingredients of the model are an O mediated hopping, a trigonal crystal-field splitting, and on-site effective interactions derived from the exact solution of a multi-orbital model in a CoO$_6$ cluster, with parameters determined previously. The effective model is solved by dynamical mean-field theory (DMFT). We obtain a Fermi surface (FS) and electronic dispersion that agrees well with angle-resolved photoemission spectra (ARPES). Our results also elucidate the origin of the "sinking-pockets" in different doping regimes.

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A. Bourgeois, A. A. Aligia, M. J Rozenberg. 2009-01-13. Dynamical mean field theory of an effective three-band model for Na$_x$CoO$_2$. https://doi.org/10.1103/physrevlett.102.066402

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