Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide
A. S. Belozerov°, A. I. Poteryaev*°, V. I. Anisimov°
°Institute of Metal Physics, Russian Academy of Sciences, 620041, Ekaterinburg GSP-170, Russia
*Ural Federal University, 620002 Ekaterinburg, Russia
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
Calculation results in strongly correlated metallic state
with an effective mass renormalization .
Uniform magnetic susceptibility shows
Curie-Weiss temperature dependence with effective magnetic moment,
p eff theor = 1.54 μB,
in a good agreement with the experimental value
that is close to ideal value for V4+ ion with the spin S=1/2,
peff = 1.73 μB.
Calculated spectral function shows well developed Hubbard bands
observable in the recent experimental photoemission spectra.
We conclude that VO2 in rutile phase is strongly correlated metal
with local magnetic moments formed by vanadium d-electrons.