Effect of crystal-field splitting and interband hybridization on the metal-insulator transitions of strongly correlated systems

Alexander I. Poteryaev, Michel Ferrero, Antoine Georges, and Olivier Parcollet
Phys. Rev. B 78, 045115 – Published 23 July 2008

Abstract

We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an interorbital hopping (interband hybridization). Both terms are relevant to the realistic description of correlated materials such as transition-metal oxides. The nature of the Mott metal-insulator transition is clarified and is found to depend on the magnitude of the crystal-field splitting. At large values of the splitting, a transition from a two-band to a one-band metal is first found as the on-site repulsion is increased and is followed by a Mott transition for the remaining band, which follows the single-band (Brinkman-Rice) scenario well documented previously within dynamical mean-field theory. At small values of the crystal-field splitting, a direct transition from a two-band metal to a Mott insulator with partial orbital polarization is found, which takes place simultaneously for both orbitals. This transition is characterized by a vanishing of the quasiparticle weight for the majority orbital but has a first-order character for the minority orbital. It is pointed out that finite-temperature effects may easily turn the metallic regime into a bad metal close to the orbital polarization transition in the metallic phase.

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  • Received 28 January 2008

DOI:https://doi.org/10.1103/PhysRevB.78.045115

©2008 American Physical Society

Authors & Affiliations

Alexander I. Poteryaev1, Michel Ferrero1, Antoine Georges1, and Olivier Parcollet2

  • 1Centre de Physique Théorique, UMR 7644, Ecole Polytechnique, CNRS, 91128 Palaiseau Cedex, France
  • 2Institut de Physique Théorique, CEA, IPhT, CNRS, URA 2306, F-91191 Gif-sur-Yvette Cedex, France

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Issue

Vol. 78, Iss. 4 — 15 July 2008

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