Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide - Condensed Matter > Strongly Correlated ElectronsReport as inadecuate




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Abstract: The influence of Coulomb correlation on magnetic and spectral properties inmetallic rutile phase of vanadium dioxide is studied by state of the artLDA+DMFT method. Calculation results in strongly correlated metallic state withan effective mass renormalization $m^*-m\approx2$. Uniform magneticsusceptibility shows Curie-Weiss temperature dependence with effective magneticmoment, $p {eff}^{theor} = 1.54 \mu B$, in a good agreement with theexperimental value $p {eff}^{exp} = 1.53 \mu B$ that is close to ideal valuefor V$^{4+}$ ion with the spin $S=1-2$, $p {eff} = 1.73 \mu B$. Calculatedspectral function shows well developed Hubbard bands observabale in the recentexperimental photoemission spectra. We conclude that VO2 in rutile phase isstrongly correlated metal with local magnetic moments formed by vanadium$d$-electrons.



Author: A.S. Belozerov, A.I. Poteryaev, V.I. Anisimov

Source: https://arxiv.org/







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