A. S. Belozerov, A. I. Poteryaev, V. I. Anisimov, “Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide”, Pis'ma v Zh. Èksper. Teoret. Fiz., 2011, Volume 93, Issue 2,Pages <nobr>73

This article is cited in 15 papers

CONDENSED MATTER

Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide

A. S. Belozerov^a, A. I. Poteryaev^ab, V. I. Anisimov^a

^a Institute of Metal Physics, Russian Academy of Sciences, 620041, Ekaterinburg GSP-170, Russia
^b Ural Federal University, 620002 Ekaterinburg, Russia

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 $m^*/m\approx2$. Uniform magnetic susceptibility shows Curie-Weiss temperature dependence with effective magnetic moment, $p_{\rm eff}^{\rm theor}=1.54\mu_B$, in a good agreement with the experimental value $p_{\rm eff}^{\exp}=1.53\mu_B$ that is close to ideal value for V$^{4+}$ ion with the spin $S=1/2$, $p_{eff} = 1.73 \mu_B$. Calculated spectral function shows well developed Hubbard bands observable in the recent experimental photoemission spectra. We conclude that VO$_2$ in rutile phase is strongly correlated metal with local magnetic moments formed by vanadium $d$-electrons.

Received: 29.11.2010

Language: English