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Calculation Evidence of Staged Mott and Peierls Transitions in VO2 Revealed by Mapping Reduced-Dimension Potential Energy Surface Journal article
Journal of Physical Chemistry Letters, 2015,Volume: 6,Issue: 18,Page: 3650-3656
Authors:  Chen S.;  Liu J.;  Luo H.;  Gao Y.
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first-principles calculations  Mott transition  Peierls transition  potential energy surface  VO2(R/M1)