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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