作者
Peixuan Li, William Yi Wang, Chengxiong Zou, Xingyu Gao, Jun Wang, Xiaoli Fan, Haifeng Song, Jinshan Li
发表日期
2023/3/15
期刊
Applied Surface Science
卷号
613
页码范围
155760
出版商
North-Holland
简介
The moiré superlattices (MSL) of twist two-dimensional van der Waals heterointerfaces accompanying with interfacial lattice distortion present abundant attractive physical properties, including fast interlayer charge-transfer, superconductor-insulator transition, emerging topological phase. Attributing to the optimized atomic lateral forces and elimination of interlayer lock-in by moiré superlattice, the superlubricity can be achieved and its theoretical foundations are still under extensive investigations. Here, the contributions of moiré-induced lattice distortions on the superlubricity of twist MoS2/MoSe2 heterointerfaces are comprehensively investigated by first-principles calculations. The localized electronic redistribution and the orbital hybridization by lattice distortions result in the band evolutions, reflecting the features of high symmetry points under different interfacial orientations. Moreover, the characteristic moiré …
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