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.

doi:10.1103/PhysRevB.95.075125

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

Journal Article · Wed Feb 15 00:00:00 EST 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.95.075125· OSTI ID:1376670

Huffman, T. J. ^[1]; Hendriks, C. ^[1]; Walter, E. J. ^[1]; Yoon, Joonseok ^[2]; Ju, Honglyoul ^[2]; Smith, R. ^[3]; Carr, G. L. ^[3]; Krakauer, H. ^[1]; Qazilbash, M. M. ^[1]

College of William and Mary, Williamsburg, VA (United States)
Yonsei Univ., Seoul (Republic of Korea)
Brookhaven National Lab. (BNL), Upton, NY (United States)

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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1376670

Report Number(s):: BNL-114002-2017-JA; PRBMDO; TRN: US1702686

Journal Information:: Physical Review B, Vol. 95, Issue 7; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 48 works

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Microscopic nature of the asymmetric hysteresis in the insulator-metal transition of VO ₂ revealed by spectroscopic ellipsometry Voloshenko, Ievgen; Kuhl, Florian; Gompf, Bruno Applied Physics Letters, Vol. 113, Issue 20 https://doi.org/10.1063/1.5055296	journal	November 2018
How optical excitation controls the structure and properties of vanadium dioxide Otto, Martin R.; René de Cotret, Laurent P.; Valverde-Chavez, David A. Proceedings of the National Academy of Sciences, Vol. 116, Issue 2 https://doi.org/10.1073/pnas.1808414115	journal	December 2018
Ultrafast response of photoexcited carriers in VO ₂ at high-pressure Braun, Johannes M.; Schneider, Harald; Helm, Manfred New Journal of Physics, Vol. 20, Issue 8 https://doi.org/10.1088/1367-2630/aad4ef	journal	August 2018
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