Strain Modulation by van der Waals Coupling in Bilayer Transition Metal Dichalcogenide

Manipulation of lattice strain is emerging as a powerful means to modify the properties of low-dimensional materials. Most approaches rely on external forces to induce strain, and the role of interlayer van der Waals (vdW) coupling in generating strain profiles in homobilayer transition metal dichalcogenide (TMDC) films is rarely considered. Here, by applying atomic-resolution electron microscopy and density functional theory calculations, we observed that a mirror twin boundary (MTB) modifies the interlayer vdW coupling in bilayer TMDC films, leading to the development of local strain for a few nanometers in the vicinity of the MTB. Interestingly, when a single MTB in one layer is "paired" with another MTB in an adjacent layer, interlayer-induced strain is reduced when the MTBs approach each other. Therefore, MTBs are not just 1D discontinuities; they can exert localized 2D strain on the adjacent lattices.