The unique carrier mobility of Janus MoSSe/GaN heterostructures
Wen‐Jin Yin, Xiaolong Zeng, Bo Wen, Qingxia Ge, Ying Xu, Gilberto Teobaldi, Limin Liu
Abstract
Heterostructure is an effective approach in modulating the physical and chemical behavior of materials. Here, the first-principles calculations were carried out to explore the structural, electronic, and carrier mobility properties of Janus MoSSe/GaN heterostructures. This heterostructure exhibits a superior high carrier mobility of 281.28 cm2·V−1·s−1 for electron carrier and 3951.2 cm2·V−1·s−1 for hole carrier. Particularly, the magnitude of the carrier mobility can be further tuned by Janus structure and stacking modes of the heterostructure. It is revealed that the equivalent mass and elastic moduli strongly affect the carrier mobility of the heterostructure, while the deformation potential contributes to the different carrier mobility for electron and hole of the heterostructure. These results suggest that the Janus MoSSe/GaN heterostructures have many potential applications for the unique carrier mobility.