## Abstract

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 VO_{2} in the M _{1} phase with a band gap of 0.3 eV has been reproduced for the first time.

Original language | English |
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Pages (from-to) | 215-220 |

Number of pages | 6 |

Journal | Physics of Metals and Metallography |

Volume | 104 |

Issue number | 3 |

DOIs | |

Publication status | Published - Sep 2007 |

Externally published | Yes |

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