The antimonene and WS₂ monolayers have widely studied recently. Here, we construct the Sb/WS₂ van der Waals heterostructures to explore their combined effects on electronic and optical properties based on density functional method. The calculated results show that the most stable heterostructure is a type-Ⅱ semiconductor with a medium band gap of 1.183 eV. The external electric field can alter its band gap significantly, for example, the small negative electric field can make the band gap narrowed sharply and linearly. Based on this behavior, a high-performance heterostructure Schottky-barrier field effect transistor is designed. And under vertical strain, the heterostructure is robust to sustain a type-Ⅱ band alignment, but the band gap can be reduced rapidly by pressure. Accordingly, a strain-gated high switch-ratio mechanical switch device by working reversibly between the “compressive” and “unstrained” states is suggested. Also shown is that this heterostructure prefers the visible light adsorption, and the photoelectric power conversion efficiency (PCE) is as high as 20.98%. Particularly, under small positive electric field, the light adsorption and PCE for this heterostructure is enhanced significantly up to 22.845%. Thus a photovoltaic cell with a high PCE is proposed.

最近对锑烯和WS ₂单分子层进行了广泛的研究。在这里，我们构建了 Sb/WS ₂van der Waals 异质结构基于密度泛函方法探索它们对电子和光学性质的综合影响。计算结果表明，最稳定的异质结构是Ⅱ型半导体，中等带隙为1.183 eV。外部电场可以显着改变其带隙，例如，小的负电场可以使带隙急剧且线性地变窄。基于这种行为，设计了一种高性能异质结构肖特基势垒场效应晶体管。在垂直应变下，异质结构能很好地维持Ⅱ型能带排列，但带隙可以通过压力迅速减小。因此，提出了一种通过在“压缩”和“未应变”状态之间可逆工作的应变门控高开关比机械开关装置。还显示出这种异质结构更喜欢可见光吸附，光电转换效率（PCE）高达20.98%。特别是在小正电场下，该异质结构的光吸附和PCE显着增强，高达22.845%。因此提出了具有高 PCE 的光伏电池。