This work was supported by the Singapore MOE Tier 2 (Grant No. 2018-T2-1-007). L.C. acknowledge the support of Science Foundation of Hengyang Normal University of China (Grant No. 18D26), the Hunan Provincial Natural Science Foundation of China (Grant No. 2019JJ50016). L.C. and G.Z. acknowledge the support of the National Natural Science Foundation of China (Grant No. 11774085). All the calculations were carried out using the computational resources provided by the National Supercomputing Centre (NSCC) Singapore.
机构署名：
本校为第一机构
院系归属：
物理与电子工程学院
摘要：
A two-dimensional (2D) MoSi2N4 monolayer is an emerging class of air-stable 2D semiconductors possessing exceptional electrical and mechanical properties. Despite intensive recent research effort devoted to uncover the material properties of MoSi2N4, the physics of electrical contacts to MoSi2N4 remains largely unexplored thus far. In this work, we study van der Waals heterostructures composed of MoSi2N4 contacted by graphene and NbS2 monolayers using first-principles density functional theory calculations. We show that the MoSi2N4/NbS2 contact exhibits an ultralow Schottky barrier height (SBH...
