Twist-angle dependent continuum models and second flat Chern bands in twisted MoTe<sub>2</sub> and WSe<sub>2</sub>

ORAL

Abstract

Motivated by recent experimental discoveries of rich electronic phases across a wide range of twist angles in moiré transition metal dichalcogenide (TMD) homobilayers, we develop a twist-angle-dependent continuum model for twisted MoTe2 and WSe2. The model accounts for lattice relaxations, piezoelectric polarizations, and strain-induced vector potentials, using machine learning force fields (MLFFs). By comparing band dispersions, wave functions, and quantum geometries with large-scale density functional theory (DFT) calculations, we derive a set of continuum model parameters that vary smoothly with twist angle. Through perturbation theory analysis, we find that the emergence of a second flat Chern band in both tMoTe2 and tWSe2 is mainly due to the strong twist-angle dependence of the layer-antisymmetric potential and interlayer tunneling. Our developed continuum models serve as a promising basis for engineering the intertwined electronic phases driven by lattice relaxations.

*First-principles calculations and continuum model parameterizations are mainly supported by the Center on Programmable Quantum Materials, an Energy Frontier Research Center funded by DOE BES under award DE-SC0019443 and DOE Award No. DE-SC0012509. This work was facilitated through the use of advanced computational, storage, and networking infrastructure provided by the Hyak supercomputer system and funded by the University of Washington Molecular Engineering Materials Center at the University of Washington (DMR-1719797).

Presenters

  • Xiaowei Zhang

    • University of Washington

Authors

  • Xiaowei Zhang

    • University of Washington
  • Kaijie Yang

    • University of Washington
  • Chong Wang

    • University of Washington
    • Tsinghua University
  • Xiaoyu Liu

    • University of Washington
  • Ting Cao

    • University of Washington
  • Di Xiao

    • University of Washington