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  • Letter

Electric-field-induced metal-semiconductor transitions in twisted bilayers of WSe2

Sumanti Patra, Prasun Boyal, and Priya Mahadevan

  • Department of Condensed Matter Physics and Material Science, S. N. Bose National Center for Basic Sciences, Block-JD, Salt Lake, Kolkata-700106, India

Phys. Rev. B 107, L041104 – Published 12 January, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L041104

Abstract

We have examined the electronic structure of twisted bilayers of WSe2 within ab initio electronic structure calculations. Flat bands are found to emerge above a set of dispersing bands at a twist angle of 3.48∘, whereas they are absent at 19.03∘ which has a similar-sized moiré cell. The presence of the flat bands at the valence-band maximum are traced to the strong perturbations from zone-boundary scattering found for small angles. This follows from the fact that the strongest Fourier components of the lattice potential are associated with the primitive cell vectors, justifying a description of the electronic structure as a perturbation to the unrotated limit. The layer polarization of the charge density associated with the valence-band maximum also allows for tuning the electronic structure with an electric field, thereby driving a semiconductor-metal-semiconductor transition.

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