The unique carrier mobility of Janus MoSSe/GaN heterostructures
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Front. Phys. 16(3), 33501 (2021)
Research article The unique carrier mobility of Janus MoSSe/GaN heterostructures Wen-Jin Yin1 , Xiao-Long Zeng1 , Bo Wen2 , Qing-Xia Ge1 , Ying Xu1 , Gilberto Teobaldi3,4,5 , Li-Min Liu2,† 1
School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China 2 School of Physics, Beihang University, Beijing 100083, China 3 Scientific Computing Department, STFC UKRI, Rutherford Appleton Laboratory, Harwell Campus, OX11 0QX Didcot, United Kingdom 4 Stephenson Institute for Renewable Energy, Department of Chemistry, University of Liverpool, L69 3BX Liverpool, United Kingdom 5 School of Chemistry, University of Southampton, Highfield, SO17 1BJ Southampton, United Kingdom Corresponding author. E-mail: † [email protected] Received July 11, 2020; accepted September 2, 2020
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. Keywords Janus heterostructure, carrier mobility, first-principles calculation
1 Introduction The increasing development of technology triggers the revolution of electronic device or vehicle toward microminiaturization and multifunctional [1–3]. It is well known that size and intrinsic properties of a material are the two crucial factors. That means it should be in nanocrystalline, as well as own with desirable band gap and carrier mobility. The successful exfoliation of graphene shines the light on the potential of low dimensional material production. Meanwhile, it shows that graphene exhibits halfinteger quantum hall effect, high migration rate, and mass less carrier transport properties [4]; however, the absence of band gap in pristine sheet leads to an extremely low on/off ratio, which severely limits its further application in nanoscale electronic device [4–6]. Thus, it has aroused extensive attention to modulate the electronic structure. Structure tailoring is a common method to control the electronic property, such as forming armchair or zigzag edge nanoribbons. Although a small band gap can be ∗ Special
Topic: Heterojunction and Its Applications (Ed Chenghua Sun). This article can be also found at http:// journal.hep.com.cn/fop/EN/10.1007/s11467-020-1021-
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