Defects in multilayer MoS2grown by pulsed laser deposition and their impact on electronic structure

Abstract

Defect morphology plays a crucial role in determining the properties of the system and can harness new functionalities. One of the widely studied layered materials is semiconducting molybdenum disulfide (MoS 2) with interesting electronic, optical, and spin-valley properties strongly dependent on the stacking order. The defects on this material are extensively studied but limited to individual layers. Here, we provide a systematic study of a defect in a multi-layer MoS 2 sample grown by pulsed laser deposition using transmission electron microscopy in cross-sectional form and first-principles calculation to explore their electronic properties. The various dislocations in the system, such as ripple, kink, peak, and edge dislocation, change the inter-layer distance. The observed inversion domain boundaries introduce 3R stacking in the system with deviation from straight layer nature. These stacking defects add richness to existing defect structures and open new opportunities for novel device applications beyond a single-layer limit.