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Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide

Strongly Correlated Electrons 2015-05-18 v1 Materials Science

Abstract

The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an effective mass renormalization m/m2m^*/m\approx2. Uniform magnetic susceptibility shows Curie-Weiss temperature dependence with effective magnetic moment, pefftheor=1.54μBp_{eff}^{theor} = 1.54 \mu_B, in a good agreement with the experimental value peffexp=1.53μBp_{eff}^{exp} = 1.53 \mu_B that is close to ideal value for V4+^{4+} ion with the spin S=1/2S=1/2, peff=1.73μBp_{eff} = 1.73 \mu_B. Calculated spectral function shows well developed Hubbard bands observabale in the recent experimental photoemission spectra. We conclude that VO2 in rutile phase is strongly correlated metal with local magnetic moments formed by vanadium dd-electrons.

Keywords

Cite

@article{arxiv.1004.3214,
  title  = {Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide},
  author = {A. S. Belozerov and A. I. Poteryaev and V. I. Anisimov},
  journal= {arXiv preprint arXiv:1004.3214},
  year   = {2015}
}

Comments

6 pages, 6 figures, submitted to PRB