Moiré Potential, Lattice Corrugation, and Band Gap Spatial Variation in a Twist-Free MoTe 2 /MoS 2 Heterobilayer

• Published in: The journal of physical chemistry letters Vol. 11; no. 7; pp. 2637 - 2646
• Main Authors: Geng, W T, Wang, V, Liu, Y C, Ohno, T, Nara, J
• Format: Journal Article
• Language: English
• Published: United States 02.04.2020

To have a fully first-principles description of the moiré pattern in transition-metal dichalcogenide heterobilayers, we have carried out density functional theory calculations on a MoTe (9 × 9)/MoS (10 × 10) stacking, which has a superlattice larger than an exciton yet not large enough to justify a...