Metal-insulator transition in rutile-based VO2

M. S. Laad, L. Craco, and E. Müller-Hartmann
Phys. Rev. B 73, 195120 – Published 24 May 2006

Abstract

We present a detailed description for the metal-insulator transition in paramagnetic VO2. Based on recent experimental data we show the importance of multiorbital electron-electron interactions along with first-principles band structure data for a consistent description of the metal-insulator transition in this system. Using the local-density approximation (LDA)+dynamical mean field (DMFT) multiorbital iterated-perturbation theory scheme, which merges the LDA with DMFT, we show that the metal-insulator transition is accompanied by a large spectral weight transfer due to changes in the orbital occupations. Within this scenario we find good agreement with the one-electron spectral function in the metallic phase of VO2. We also compare our results for the total spectral density with other approaches which use the quantum Monte Carlo method to solve the impurity problem of DMFT.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 13 January 2005

DOI:https://doi.org/10.1103/PhysRevB.73.195120

©2006 American Physical Society

Authors & Affiliations

M. S. Laad1, L. Craco2, and E. Müller-Hartmann2

  • 1Department of Physics, Loughborough University, Loughborough, Leics LE11 3TU, United Kingdom
  • 2Institut für Theoretische Physik, Universität zu Köln, 77 Zülpicher Straße, 50937 Köln, Germany

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 73, Iss. 19 — 15 May 2006

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×