Dynamical Mean Field Theory of an Effective Three-Band Model for NaxCoO2

A. Bourgeois, A. A. Aligia, and M. J. Rozenberg
Phys. Rev. Lett. 102, 066402 – Published 12 February 2009

Abstract

We derive an effective Hamiltonian for highly correlated t2g states centered at the Co sites of NaxCoO2. 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 multiorbital model in a CoO6 cluster, with parameters determined previously. The effective model is solved by dynamical mean field theory. We obtain a Fermi surface and electronic dispersion that agrees well with angle-resolved photoemission spectra. Our results also elucidate the origin of the “sinking pockets” in different doping regimes.

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  • Received 22 October 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.066402

©2009 American Physical Society

Authors & Affiliations

A. Bourgeois1, A. A. Aligia2, and M. J. Rozenberg1

  • 1Laboratoire de Physique des Solides, Université Paris-Sud, CNRS UMR-8502, 91405 Orsay cedex, France
  • 2Centro Atómico Bariloche and Instituto Balseiro, Comisión Nacional de Energía Atómica, 8400 Bariloche, Argentina

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Vol. 102, Iss. 6 — 13 February 2009

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