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Unusual temperature dependence of the band structure associated with local atomic distortion in monolayer 1T′-WTe2

Ryuichi Ando1, Katsuaki Sugawara1,2,3, Tappei Kawakami1, Koki Yanagizawa1, Ken Yaegashi1, Takashi Takahashi1, and Takafumi Sato1,2,4,5,6

  • 1Department of Physics, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan
  • 2Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Sendai 980-8577, Japan
  • 3Precursory Research for Embryonic Science and Technology (PRESTO), Japan Science and Technology Agency (JST), Tokyo 102-0076, Japan
  • 4Center for Science and Innovation in Spintronics (CSIS), Tohoku University, Sendai 980-8577, Japan
  • 5International Center for Synchrotron Radiation Innovation Smart (SRIS), Tohoku University, Sendai 980-8577, Japan
  • 6Mathematical Science Center for Co-creative Society (MathCCS), Tohoku University, Sendai 980-8578, Japan

Phys. Rev. Materials 9, L011001 – Published 23 January, 2025

DOI: https://doi.org/10.1103/PhysRevMaterials.9.L011001

Abstract

The ground state of monolayer 1T′−WTe2 has been a target of intensive debate on whether or not it is a two-dimensional topological insulator (2D TI) associated with exciton formation. We investigated the band structure of an epitaxial monolayer 1T′−WTe2 film grown on graphene/SiC(0001) in a wide temperature range of T=40−400K by angle-resolved photoemission spectroscopy (ARPES). We observed an electron band above the Fermi level (EF) slightly away from the Γ point, together with four hole bands below EF just at the Γ point. This signifies an indirect band gap exceeding 0.1 eV in support of the 2D-TI phase with the inverted band structure. We uncovered an unexpectedly large downward shift of valence bands upon cooling, accompanied with an upward shift of the conduction band. Comparison of the ARPES-derived band structure with first-principles band calculations suggests that the observed band shift is ascribed to the systematic local atomic distortion of tungsten atoms, which should be incorporated into the interpretation of unusual transport properties of 1T′−WTe2.

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