Dynamical singlets and correlation-assisted peierls transition in vo 2

S. Biermann, A. Poteryaev, A. I. Lichtenstein, A. Georges

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566 Citations (Scopus)

Abstract

A theory of the metal-insulator transition in vanadium dioxide from the high- temperature rutile to the low- temperature monoclinic phase is proposed on the basis of cluster dynamical mean-field theory, in conjunction with the density functional scheme. The interplay of strong electronic Coulomb interactions and structural distortions, in particular, the dimerization of vanadium atoms in the low-temperature phase, plays a crucial role. We find that VO2 is not a conventional Mott insulator, but that the formation of dynamical V-V singlet pairs due to strong Coulomb correlations is necessary to trigger the opening of a Peierls gap.

Original languageEnglish
Article number026404
Pages (from-to)1-4
Number of pages4
JournalPhysical Review Letters
Volume94
Issue number2
DOIs
Publication statusPublished - 21 Jan 2005
Externally publishedYes

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