Resolving the VO2 controversy: Mott mechanism dominates the insulator-to-metal transition

  title={Resolving the VO2 controversy: Mott mechanism dominates the insulator-to-metal transition},
  author={'Oscar N'ajera and Marcello Civelli and Vladimir Dobrosavljevi'c and Marcelo J. Rozenberg},
  journal={Physical Review B},
We consider a minimal model to investigate the metal-insulator transition in ${\mathrm{VO}}_{2}$. We adopt a Hubbard model with two orbitals per unit cell, which captures the competition between Mott and singlet-dimer localization. We solve the model within dynamical mean-field theory, characterizing in detail the metal-insulator transition and finding new features in the electronic states. We compare our results with available experimental data, obtaining good agreement in the relevant model… 

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