The Physics of Metals and Metallography

, Volume 104, Issue 3, pp 215–220 | Cite as

Calculation of the electronic structure of the vanadium dioxide VO2 in the monoclinic low-temperature phase M 1 using the generalized transition state method

  • A. V. Kozhevnikov
  • V. I. Anisimov
  • M. A. Korotin
Theory of Metals


It is known that the ground state of the vanadium dioxide in the low-temperature monoclinic phase M 1 is a nonmagnetic insulator. The calculations in the local-density approximation (LDA) predict the metallic nonmagnetic state, whereas the calculations in terms of the LDA + U approach (local-density approximation with explicit allowance for on-site Coulomb correlations U) predict the insulating antiferromagnetic state. In terms of the method of generalized transition state, the nonmagnetic insulating state of VO2 in the M 1 phase with a band gap of 0.3 eV has been reproduced for the first time.

PACS numbers

71.15.Mb 71.10.-w 


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Copyright information

© Pleiades Publishing, Ltd. 2007

Authors and Affiliations

  • A. V. Kozhevnikov
    • 1
  • V. I. Anisimov
    • 1
  • M. A. Korotin
    • 1
  1. 1.Institute of Metal Physics, Ural DivisionRussian Academy of SciencesEkaterinburgRussia

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