Department of Basic Education, Criminal Investigation Police University of China, Shenyang, Liaoning, China.
Department of Physics, Shenyang University of Chemical Technology, Shenyang, Liaoning, China.
PLoS One. 2024 May 24;19(5):e0304032. doi: 10.1371/journal.pone.0304032. eCollection 2024.
Heterostructure engineering is an effective technology to improve photo-electronic properties of two dimensional layered semiconductors. In this paper, based on first principles method, we studied the structure, stability, energy band, and optical properties of ZnSe/SnSe heterostructure change with film layer. Results show that all heterostructures are the type-II band arrangement, and the interlayer interaction is characterized by van der Waals. The electron concentration and charge density difference implies the electron (holes) transition from SnSe to monolayer ZnSe. By increasing the layer of SnSe films, the quantum effects are weakened leading to the band gap reduced, and eventually show metal properties. The optical properties also have obvious change, the excellent absorption ability of ZnSe/SnSe heterostructures mainly near the infrared spectroscopy. These works suggest that ZnSe/SnSe heterostructure has significant potential for future optoelectronic applications.
异质结构工程是一种提高二维层状半导体光电性能的有效技术。本文基于第一性原理方法，研究了 ZnSe/SnSe 异质结构随膜层变化的结构、稳定性、能带和光学性质。结果表明，所有异质结构均为 II 型能带排列，层间相互作用以范德华力为特征。电子浓度和电荷密度差表明电子（空穴）从 SnSe 向单层 ZnSe 跃迁。随着 SnSe 薄膜层数的增加，量子效应减弱导致带隙减小，最终呈现金属性质。光学性质也有明显变化，ZnSe/SnSe 异质结构在近红外光谱处具有优异的吸收能力。这些工作表明，ZnSe/SnSe 异质结构在未来的光电子应用中具有重要的应用潜力。
