Dynamical mean field theory of an effective three-band model for NaCoO
arXiv:0901.1834 · doi:10.1103/PhysRevLett.102.066402
Abstract
We derive an effective Hamiltonian for highly correlated states centered at the Co sites of NaCoO. 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 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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