The phase transition in VO2 |
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| Authors: | N.I. Lazukova V.A. Gubanov |
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| Affiliation: | 1. Institute of Chemistry, Ural Science Center, Academy of Sciences, Swerdlovsk, USSR |
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| Abstract: | The electronic d-states in VO2 are investigated by a semi-empirical MO LCAO method. The calculations of clusters for the crystal structures above and below the phase transition point show that the energy gap is mainly formed by the crystal distortions. The energies calculated agree well with the ESCA experimental estimations and explain the large gap values obtained from the optical data. |
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