Mott-Hubbard Metal-Insulator Transition in ParamagneticV2O3: AnLDA+DMFT(QMC)Study

  title={Mott-Hubbard Metal-Insulator Transition in ParamagneticV2O3: AnLDA+DMFT(QMC)Study},
  author={Karsten Held and Gerta Keller and Volker Eyert and Dieter Vollhardt and Vladimir I. Anisimov},
The electronic properties of paramagnetic V{sub 2}O {sub 3} are investigated by the computational scheme LDA + DMFT(QMC) . This approach merges the local density approximation (LDA) with dynamical mean-field theory (DMFT) and uses quantum Monte Carlo simulations (QMC) to solve the effective Anderson impurity model of DMFT. Starting with the crystal structure of metallic V{sub 2}O {sub 3} and insulating (V{sub 0.96 2}Cr{sub 0.0 38}){sub 2}O{sub 3} we find a Mott-Hubbard transition at a Coulomb… CONTINUE READING