Hassan Md Sakib, Islam Md Sherajul, Park Jeongwon
Department of Electrical and Electronic Engineering, Khulna University of Engineering & Technology, Khulna 9203, Bangladesh.
Department of Electrical and Biomedical Engineering, University of Nevada, Reno, NV 89557, United States of America.
Nanotechnology. 2021 May 7;32(30). doi: 10.1088/1361-6528/abf9c6.
By utilizingdensity functional theory, the structural and electronic properties of novel silicene/ZnIheterobilayers (HBLs) were investigated. Constructing HBLs with ZnIin different stacking configurations leads to direct bandgap opening of silicene at K point, which ranges from 138.2 to 201.2 meV. By analyzing the projected density of states and charge density distribution, we found that the predicted HBLs conserve the electronic properties of silicene and ZnIcan serve as a decent substrate. The tunability of electronic properties can be achieved by enforcing biaxial strain and by varying interlayer distance where bandgap can get as low as zero to as high as 318.8 meV and 290.7 meV, respectively depending on the stacking patterns. Maintenance of the remarkable features of silicene, high mobility of charge carriers, and fine-tuning of bandgap pave the way to construct new nanoelectronic devices using these novel silicene/ZnIHBLs.
利用密度泛函理论，研究了新型硅烯/ZnI异质双层（HBLs）的结构和电子性质。构建具有不同堆叠构型的ZnI/HBLs会导致硅烯在K点出现直接带隙开口，范围为138.2至201.2毫电子伏特。通过分析投影态密度和电荷密度分布，我们发现预测的HBLs保留了硅烯的电子性质，并且ZnI可以作为合适的衬底。通过施加双轴应变和改变层间距离可以实现电子性质的可调性，根据堆叠模式，带隙分别可低至零、高至318.8毫电子伏特和290.7毫电子伏特。硅烯的显著特性、高载流子迁移率以及带隙的微调得以维持，为使用这些新型硅烯/ZnI HBLs构建新型纳米电子器件铺平了道路。
