English

Moir\'{e} induced topology and flat bands in twisted bilayer WSe$_2$: A first-principles study

Materials Science 2022-02-23 v3

Abstract

We study the influence of strong spin-orbit interaction on the formation of flat bands in relaxed twisted bilayer WSe2_2. Flat bands, well separated in energy, emerge at the band edges for twist angles (θ\theta) near 0^{\circ} and 60^{\circ}. For θ\theta near 0^{\circ}, the interlayer hybridization together with a moir\'{e} potential determines the electronic structure. The bands near the valence band edge have nontrivial topology, with Chern numbers equal to +1 or -1. We propose that the nontrivial topology of the first band can be probed experimentally for twist angles less than a critical angle of 3.5^{\circ}. For θ\theta near 60^{\circ}, the flattening of the bands arising from the K point of the unit cell Brillouin zone is a result of atomic rearrangements in the individual layers. Our findings on the flat bands and the localization of their wavefunctions for both ranges of θ\theta match well with recent experimental observations.

Keywords

Cite

@article{arxiv.2103.07447,
  title  = {Moir\'{e} induced topology and flat bands in twisted bilayer WSe$_2$: A first-principles study},
  author = {Sudipta Kundu and Mit H. Naik and H. R. Krishnamurthy and Manish Jain},
  journal= {arXiv preprint arXiv:2103.07447},
  year   = {2022}
}
R2 v1 2026-06-24T00:04:48.880Z