title: Structural and electronic properties of two-dimensional stanene and graphene heterostructure.
abstract: Structural and electronic properties of two-dimensional stanene and graphene heterostructure (Sn/G) are studied by using first-principles calculations. Various supercell models are constructed in order to reduce the strain induced by the lattice mismatch. The results show that stanene interacts overall weakly with graphene via van der Waals (vdW) interactions. Multiple phases of different crystalline orientation of stanene and graphene could coexist at room temperature. Moreover, interlayer interactions in stanene and graphene heterostructure can induce tunable band gaps at stanene's Dirac point, and weak p-type and n-type doping of stanene and graphene, respectively, generating a small amount of electron transfer from stanene to graphene. Interestingly, for model [Formula: see text] , there emerges a band gap about 34 meV overall the band structure, indicating it shows semiconductor feature.
authors.affiliation: State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing, 100876, China.
authors.forename: Liyuan
authors.initials: L
authors.lastname: Wu
authors.affiliation: State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing, 100876, China. photon.bupt@gmail.com.|State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China. photon.bupt@gmail.com.
authors.forename: Pengfei
authors.initials: P
authors.lastname: Lu
authors.affiliation: State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing, 100876, China.
authors.forename: Jingyun
authors.initials: J
authors.lastname: Bi
authors.affiliation: School of Physics and Telecommunication Engineering, Shanxi University of Technology (SNUT), Hanzhong, 723001, Shaanxi, China.
authors.forename: Chuanghua
authors.initials: C
authors.lastname: Yang
authors.affiliation: State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China.
authors.forename: Yuxin
authors.initials: Y
authors.lastname: Song
authors.affiliation: Beijing Computational Science Research Center, Beijing, 100084, China. pguan@csrc.ac.cn.
authors.forename: Pengfei
authors.initials: P
authors.lastname: Guan
authors.affiliation: State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China.|Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296, Gothenburg, Sweden.
authors.forename: Shumin
authors.initials: S
authors.lastname: Wang
keywords: First-principles; Graphene; Heterostructure; Stanene; Structural properties