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

ACS Nano. 2024 Oct 8;18(40):27479-27486. doi: 10.1021/acsnano.4c08081. Epub 2024 Sep 24.

Abstract

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 WSe2/WS2 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.

Keywords: Moiré superlattices; out-of-plane reconstruction; scanning tunneling microscopy/spectroscopy; strain; transition metal chalcogenide.