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Title: Insulating phases of vanadium dioxide are Mott-Hubbard insulators

Here, we present comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO 2): 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 VO 2. 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.
Authors:
 [1] ;  [1] ;  [1] ;  [2] ;  [2] ;  [3] ;  [3] ;  [1] ;  [1]
  1. College of William and Mary, Williamsburg, VA (United States)
  2. Yonsei Univ., Seoul (Republic of Korea)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
BNL-114002-2017-JA
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1702686
Grant/Contract Number:
SC00112704
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 7; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1376670

Huffman, T. J., Hendriks, C., Walter, E. J., Yoon, Joonseok, Ju, Honglyoul, Smith, R., Carr, G. L., Krakauer, H., and Qazilbash, M. M.. Insulating phases of vanadium dioxide are Mott-Hubbard insulators. United States: N. p., Web. doi:10.1103/PhysRevB.95.075125.
Huffman, T. J., Hendriks, C., Walter, E. J., Yoon, Joonseok, Ju, Honglyoul, Smith, R., Carr, G. L., Krakauer, H., & Qazilbash, M. M.. Insulating phases of vanadium dioxide are Mott-Hubbard insulators. United States. doi:10.1103/PhysRevB.95.075125.
Huffman, T. J., Hendriks, C., Walter, E. J., Yoon, Joonseok, Ju, Honglyoul, Smith, R., Carr, G. L., Krakauer, H., and Qazilbash, M. M.. 2017. "Insulating phases of vanadium dioxide are Mott-Hubbard insulators". United States. doi:10.1103/PhysRevB.95.075125. https://www.osti.gov/servlets/purl/1376670.
@article{osti_1376670,
title = {Insulating phases of vanadium dioxide are Mott-Hubbard insulators},
author = {Huffman, T. J. and Hendriks, C. and Walter, E. J. and Yoon, Joonseok and Ju, Honglyoul and Smith, R. and Carr, G. L. and Krakauer, H. and Qazilbash, M. M.},
abstractNote = {Here, 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.},
doi = {10.1103/PhysRevB.95.075125},
journal = {Physical Review B},
number = 7,
volume = 95,
place = {United States},
year = {2017},
month = {2}
}

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