Tunable Out-of-Plane Reconstructions in Moiré Superlattices of Transition Metal Dichalcogenide Heterobilayers

The reconstructed moiré superlattices of the transition metal chalcogenide (TMD), formed by the combined effects of interlayer coupling and intralayer strain, provide a platform for exploring quantum physics. Here, using scanning tunneling microscopy/spectroscopy, we observe that the strained WSe 2 /WS 2 moiré superlattices undergo various out-of-plane atomically buckled configurations, a phenomenon termed out-of-plane reconstruction. This evolution is attributed to the differentiated response of intralayer strain in high-symmetry stacking regions to external strain. Notably, in larger out-of-plane reconstructions, there is a significant alteration in the local density of states (LDOS) near the Γ point in the valence band, exceeding 300%, with the moiré potential in the valence band surpassing 200 meV. Further, we confirm that the variation in interlayer coupling within high-symmetry stacking regions is the main factor affecting the moiré electronic states rather than the intralayer strain. Our study unveils intrinsic regulating mechanisms of out-of-plane reconstructed moiré superlattices and contributes to the study of reconstructed moiré physics.