Dynamical Mean Field Theory of an Effective Three-Band Model forNaxCoO2
- 12 February 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 102 (6), 066402
- https://doi.org/10.1103/physrevlett.102.066402
Abstract
We derive an effective Hamiltonian for highly correlated states centered at the Co sites of . 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 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.
This publication has 29 references indexed in Scilit:
- Evolution of Spin-Orbital-Lattice Coupling in thePerovskitesPhysical Review Letters, 2008
- Fermi Surface Evolution and Luttinger Theorem in: A Systematic Photoemission StudyPhysical Review Letters, 2005
- Spin dynamics of hole-doped Y 2 BaNiO 5Europhysics Letters, 1998
- Optical properties of an effective one-band Hubbard model for the cupratesPhysical Review B, 1997
- Effective single-band models for the high-cuprates. I. Coulomb interactionsPhysical Review B, 1996
- Systematic derivation of a generalizedt-JmodelPhysical Review B, 1994
- Zhang-Rice localization, quasiparticle dispersions, and the photoemission of NiOPhysical Review Letters, 1994
- Realistic Electronic Structure Calculations for Magnetic Insulators Like La_{2}CuO_{4}Physical Review Letters, 1991
- Renormalization from density-functional theory to strong-coupling models for electronic states in Cu-O materialsPhysical Review B, 1990
- Effective Hamiltonian for the superconducting Cu oxidesPhysical Review B, 1988