Tailoring the Angular Mismatch in MoS2 Homobilayers through Deformation Fields

Abstract

AbstractUltrathin MoS2 has shown remarkable characteristics at the atomic scale with an immutable disorder to weak external stimuli. Ion beam modification unlocks the potential to selectively tune the size, concentration, and morphology of defects produced at the site of impact in 2D materials. Combining experiments, first‐principles calculations, atomistic simulations, and transfer learning, it is shown that irradiation‐induced defects can induce a rotation‐dependent moiré pattern in vertically stacked homobilayers of MoS2 by deforming the atomically thin material and exciting surface acoustic waves (SAWs). Additionally, the direct correlation between stress and lattice disorder by probing the intrinsic defects and atomic environments are demonstrated. The method introduced in this paper sheds light on how engineering defects in the lattice can be used to tailor the angular mismatch in van der Waals (vdW) solids.