Twistronics: Manipulating the Electronic Properties of Two-dimensional Layered Structures through their Twist Angle

Abstract

The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A major challenge to theory is that, for arbitrary twist angles, the resulting structure involves incommensurate (aperiodic) 2D lattices. Here, we present a general method for the calculation of the electronic density of states of aperiodic 2D layered materials, using parameter-free hamiltonians derived from ab initio density-functional theory. We use graphene, a semimetal, and MoS${}_2$, a representative of the transition metal dichalcogenide (TMDC) family of 2D semiconductors, to illustrate the application of our method, which enables fast and efficient simulation of multi-layered stacks in the presence of local disorder and external fields. We comment on the interesting features of their Density of States (DoS) as a function of twist-angle and local configuration and on how these features can be experimentally observed.

7 pages, 4 figures, to be submitted to Phys. Rev. B

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• Chiral Quasi-Bound States in the Continuum
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• Shedding Light on Moire Excitons: A First-Principles Perspective
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• Flat bands, electron interactions and magnetic order in magic-angle mono-trilayer graphene
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