Bending Moiré in Twisted Bilayer Graphene

Moiré potentials caused by lattice mismatches significantly alter electrons in two-dimensional materials, inspiring the discovery of numerous unique physical properties. While strain modulates the structure and symmetry of the moiré potential, serving as a tuning mechanism for interactions, the impact of out-of-plane deformation, e.g., bending, on the moiré superlattice remains unknown. Here, we performed large-scale molecular dynamics simulations to study the evolution of the moiré superlattice of twisted bilayer graphene under out-of-plane bending deformation. Our findings indicated that curvature-dependent bending caused both global and local lattice structure modifications in the moiré superlattice. We revealed a linear relationship between lattice displacement and bending curvature across varying initial twist angles along with precise regulation of local interlayer rotation. Additionally, the atomic potential energy landscape revealed that the localized atomic stacks underwent a whirlpool-like transformation, becoming a relaxed superlattice. This work opens up new opportunities for tailoring moiré superlattices by using out-of-plane bending engineering.