Influences of the group Ⅴ atoms substitutional doping on the geometric structure and electronic properties of arsenene
LI Min1， GAO Qiuyuan1， SHI Yifan1， HU Yonghong1， XUE Li2， MAO Caixia2
1.School of Nuclear Technology and Chemistry & Biology， Hubei University of Science and Technology， Xianning， Hubei 437100， China； 2.School of Electronic and Information Engineering， Hubei University of Science and Technology， Xianning， Hubei 437100， China
Abstract：Point defects are unavoidable in new type two-dimensional materials and always have significant influences on their physical properties. In this paper， the effects of group Ⅴ doping on the geometric structure and electronic properties of arsenene are studied by the First Principle calculation. Firstly， it's found that the substitutional doping of group Ⅴ atom induced significant local lattice deformation in arsenene crystals. Secondly， different doping cases of group Ⅴ atoms lead to different decreases of band gap. Then the above phenomenon are analyzed and elucidated according to the calculation results of the density of electronic states and charge density difference. Finally， the STM images of arsenene doped by the group Ⅴ atoms are given， providing useful reference for the researchers to identify and analyze the defects of arsenic. The results of our study will provide valuable reference for the application of two-dimensional arsenic nanometer materials in optoelectronic devices and other fields.
李 敏,高秋元,史毅凡,胡永红,薛 丽,毛彩霞. 第五主族原子替位掺杂对砷烯几何结构和电子性质的影响[J]. 华中师范大学学报(自然科学版), 2018, 52(6): 811-815.
LI Min,GAO Qiuyuan,SHI Yifan,HU Yonghong,XUE Li,MAO Caixia. Influences of the group Ⅴ atoms substitutional doping on the geometric structure and electronic properties of arsenene. journal1, 2018, 52(6): 811-815.
2018, Vol. 52 
