title: Tuning electronic structures of the stanene monolayer via defects and transition-metal-embedding: spin-orbit coupling.
abstract: The electronic structures and magnetism of defect- and transition metal (TM)-embedded stanene monolayers are investigated by using first-principles methods. Single vacancy (SV) and double vacancy (DV) cannot induce magnetism, while embedding a TM can effectively tune the magnetic moments of the stanene monolayer. Moreover, the results show that all 3d TM-embedded stanene monolayers are stable. The TM-embedded SV is easier to form than DV. For TM-embedded SV systems, the Ti-embedded case presents half-metallic properties. However, for TM-embedded DV systems, the Ti-embedded system is a magnetic semiconductor and spin-orbit coupling (SOC) effects remarkably increase its band gap. Interestingly, the SOC interaction induces electronic phase transition from the semiconductor to the half-metal (metal) for Ni (Zn)-embedded DV systems. These results provide a promising route to design stanene-based spintronics devices.
authors.affiliation: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China. xiacongxin@htu.edu.cn.
authors.forename: Wenqi
authors.initials: W
authors.lastname: Xiong
authors.affiliation: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China. xiacongxin@htu.edu.cn.
authors.forename: Congxin
authors.initials: C
authors.lastname: Xia
authors.affiliation: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China. xiacongxin@htu.edu.cn.
authors.forename: Tianxing
authors.initials: T
authors.lastname: Wang
authors.affiliation: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China. xiacongxin@htu.edu.cn.
authors.forename: Juan
authors.initials: J
authors.lastname: Du
authors.affiliation: Department of Physics, University of Texas at Arlington, Arlington, Texas 76019, USA.
authors.forename: Yuting
authors.initials: Y
authors.lastname: Peng
authors.affiliation: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China. xiacongxin@htu.edu.cn.
authors.forename: Xu
authors.initials: X
authors.lastname: Zhao
authors.affiliation: School of Physics and Engineering, Zhengzhou University, Zhengzhou 450052, China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Jia