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  • Letter
  • Open Access

Unconventional orbital charge density wave mechanism in the transition metal dichalcogenide 1T−TaS2

Toru Hirata, Youichi Yamakawa, Seiichiro Onari, and Hiroshi Kontani

  • Department of Physics, Nagoya University, Furo-cho, Nagoya 464-8602, Japan

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Phys. Rev. Research 3, L032053 – Published 27 August, 2021

DOI: https://doi.org/10.1103/PhysRevResearch.3.L032053

Abstract

The transition metal dichalcogenide 1T−TaS2 is attracting growing attention because of the formation of rich density wave (DW) and superconducting transitions. However, the origin of the incommensurate DW state at the highest temperature (∼550K), which is “the parent state” of the rich physical phenomena, is still uncovered. Here, we present a natural explanation for the triple-q incommensurate DW in 1T−TaS2 based on the first-principles Hubbard model with on-site U. We apply the paramagnon interference mechanism that gives the nematic order in Fe-based superconductors. The derived order parameter has very unique characters: (i) an orbital-selective nature, and (ii) an unconventional sign reversal in both momentum and energy spaces. The present Letter will be useful for understanding the rich physics in 1T−TaS2, 1T−VSe2, and other transition metal dichalcogenides.

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Phys. Rev. Research 3, L032053– Published 27 August, 2021
  • Received 27 November 2020
  • Revised 9 June 2021
  • Accepted 2 July 2021
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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