title: Electric-field and strain-tunable electronic properties of MoS2/h-BN/graphene vertical heterostructures.
abstract: Vertical heterostructures of MoS2/h-BN/graphene have been successfully fabricated in recent experiments. Using first-principles analysis, we show that the structural and electronic properties of such vertical heterostructures are sensitive to applied vertical electric fields and strain. The applied electric field not only enhances the interlayer coupling but also linearly controls the charge transfer between graphene and MoS2 layers, leading to a tunable doping in graphene and controllable Schottky barrier height. Applied biaxial strain could weaken the interlayer coupling and results in a slight shift of graphene's Dirac point with respect to the Fermi level. It is of practical importance that the tunable electronic properties by strain and electric fields are immune to the presence of sulfur vacancies, the most common defect in MoS2.
authors.affiliation: State Key Laboratory of Applied Organic Chemistry, Department of Chemistry, Lanzhou University, Lanzhou 730000, China. xjyao@lzu.edu.cn.
authors.forename: Wenyan
authors.initials: W
authors.lastname: Zan
authors.affiliation: State Key Laboratory of Applied Organic Chemistry, Department of Chemistry, Lanzhou University, Lanzhou 730000, China. xjyao@lzu.edu.cn.
authors.forename: Wei
authors.initials: W
authors.lastname: Geng
authors.affiliation: School of Pharmacy, Lanzhou University, Lanzhou 730000, China and The Separating Scientific Institute of Lanzhou, Lanzhou 730000, China.
authors.forename: Huanxiang
authors.initials: H
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Applied Organic Chemistry, Department of Chemistry, Lanzhou University, Lanzhou 730000, China. xjyao@lzu.edu.cn.
authors.forename: Xiaojun
authors.initials: X
authors.lastname: Yao