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Title: Evidence for Strong Coulomb Correlations in the Metallic Phase of Vanadium Dioxide
Authors: Belozerov, A. S.
Poteryaev, A. I.
Anisimov, V. I.
Issue Date: 2011
Publisher: Pleiades Publishing Ltd
Citation: Belozerov A. S. Evidence for Strong Coulomb Correlations in the Metallic Phase of Vanadium Dioxide / A. S. Belozerov, A. I. Poteryaev, V. I. Anisimov. — DOI 10.3390/su13137240 // JETP Letters. — 2011. — Vol. 93. — Iss. 2. — P. 70-74.
Abstract: The influence of Coulomb correlations on magnetic and spectral properties in the 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 ≈ 2. Uniform magnetic susceptibility shows Curie-Weiss temperature dependence with effective magnetic moment, pefftheor = 1.54μB, in a good agreement with the experimental value peffexp = 1.53μB that is close to ideal value for V4+ ion with the spin S = 1/2, peff = 1.73μB. 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. © 2011 Pleiades Publishing, Ltd.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 79953160713
ISSN: 0021-3640
DOI: 10.3390/su13137240
metadata.dc.description.sponsorship: The authors thank A. Georges and S. Biermann who were at the initial stage of this work and A. Kata nin and A. Lichtenstein for useful discussions. A.P. thanks the Marie Curie grant no. MIF1 CT 2006 021820. This work was supported by the Russian Foundation for Basic Research (project nos. 10-02-00046a, 08-03-00930a), the Dynasty Foundation, and the Presidium of the Russian Academy of Science (program no. 7 “Quantum Microphysics of Con densed Matter”).
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