Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide

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 $m^{\ast }/m\approx 2$. Uniform magnetic susceptibility shows Curie-Weiss temperature dependence with effective magnetic moment, $p_{eff}^{theor}=1.54{\mu }_B$, in a good agreement with the experimental value $p_{eff}^{exp}=1.53{\mu }_B$ 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 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 $d$-electrons.

6 pages, 6 figures, submitted to PRB

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• Rotationally-Invariant Exchange Interaction: The Case of Paramagnetic Iron
• Magnetic properties of Fe${}_{1-x}$Ni${}_x$ alloy from CPA+DMFT perspectives
• Mesoscopic quantum effects in a bad metal, hydrogen-doped vanadium dioxide