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Insulating phases of vanadium dioxide are Mott-Hubbard insulators
Huffman, T. J.,Hendriks, C.,Walter, E. J.,Yoon, Joonseok,Ju, Honglyoul,Smith, R.,Carr, G. L.,Krakauer, H.,Qazilbash, M. M. American Physical Society 2017 Physical Review B Vol.95 No.7
<P>We present comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO2): monoclinic M-2 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 M-2 and triclinic phases. Moreover, the optical interband features in the M-2 and triclinic phases are remarkably similar to those observed in the well-studied monoclinic M-1 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.</P>