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    Insulating phases of vanadium dioxide are Mott-Hubbard insulators

    T. J. Huffman1, C. Hendriks1, E. J. Walter1, Joonseok Yoon2, Honglyoul Ju2, R. Smith3, G. L. Carr3, H. Krakauer1, and M. M. Qazilbash1,*

    • 1Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795, USA
    • 2Department of Physics, Yonsei University, Seoul 120-749, Republic of Korea
    • 3Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973, USA

    • *Corresponding author: mumtaz@wm.edu

    Phys. Rev. B 95, 075125 – Published 15 February, 2017

    DOI: https://doi.org/10.1103/PhysRevB.95.075125

    Abstract

    We present comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M2 and triclinic. The main result of our work is that the energy gap and the electronic structure are essentially unaltered by the first-order structural phase transition between the M2 and triclinic phases. Moreover, the optical interband features in the M2 and triclinic phases are remarkably similar to those observed in the well-studied monoclinic M1 insulating phase of VO2. As the energy gap is insensitive to the different lattice structures of the three insulating phases, we rule out vanadium-vanadium pairing (the Peierls component) as the dominant contributor to the opening of the gap. Rather, the energy gap arises primarily from intra-atomic Coulomb correlations.

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