Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers.

Van Winkle, Madeline; Craig, Isaac M; Carr, Stephen; Dandu, Medha; Bustillo, Karen C; Ciston, Jim; Ophus, Colin; Taniguchi, Takashi et al. · Nat Commun · 2023

basic_science · Level V

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Abstract

Lattice reconstruction and corresponding strain accumulation plays a key role in defining the electronic structure of two-dimensional moiré superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moirés has so far provided a qualitative understanding of this relaxation process in terms of interlayer stacking energy, while models of the underlying deformation mechanisms have relied on simulations. Here, we use interferometric four-dimensional scanning transmission electron microscopy to quantitatively map the mechanical deformations through which reconstruction occurs in small-angle twisted bilayer MoS<sub>2</sub> and WSe<sub>2</sub>/MoS<sub>2</sub> heterobilayers. We provide direct evidence that local rotations govern relaxation for twisted homobilayers, while local dilations are prominent in heterobilayers possessing a sufficiently large lattice mismatch. Encapsulation of the moiré layers in hBN further localizes and enhances these in-plane reconstruction pathways by suppressing out-of-plane corrugation. We also find that extrinsic uniaxial heterostrain, which introduces a lattice constant difference in twisted homobilayers, leads to accumulation and redistribution of reconstruction strain, demonstrating another route to modify the moiré potential.