Effective bandstructure in the insulating phase versus strong dynamical correlations in metallic VO2

Jan M. Tomczak, Ferdi Aryasetiawan, and Silke Biermann
Phys. Rev. B 78, 115103 – Published 3 September 2008

Abstract

Using a general analytical continuation scheme for cluster dynamical mean-field calculations, we analyze real-frequency self-energies, momentum-resolved spectral functions, and one-particle excitations of the metallic and insulating phases of VO2. While for the former dynamical correlations and lifetime effects prevent a description in terms of quasiparticles, the excitations of the latter allow for an effective bandstructure. We construct an orbital dependent, but static one-particle potential that reproduces the essentials of the full many-body spectrum. Yet, the ground state is well beyond a static one-particle description. The emerging picture gives a nontrivial answer to the decade-old question of the nature of the insulator, which we characterize as a “many-body Peierls” state, stressing the joint effect of lattice symmetry breaking and Coulomb correlations.

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  • Received 3 July 2008

DOI:https://doi.org/10.1103/PhysRevB.78.115103

©2008 American Physical Society

Authors & Affiliations

Jan M. Tomczak1,2, Ferdi Aryasetiawan2, and Silke Biermann1

  • 1Centre de Physique Théorique, Ecole Polytechnique, CNRS, 91128 Palaiseau Cedex, France
  • 2Research Institute for Computational Sciences, AIST, Umezono 1-1-1, Tsukuba Central 2, Tsukuba Ibaraki 305-8568, Japan

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Issue

Vol. 78, Iss. 11 — 15 September 2008

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