The absorption spectrum has a red-shift and a broadening effect with the tensile strain, from roughly 700 nm (0% externally strain) to 1050 nm (5% externally strain). Moreover, under the 30.0° twisting angle, the absorption coefficient in the absorption spectrum can reach to or above 105/cm. It is found from the first principle simulation that the absolute passband amplitude of the refractive index, extinction coefficient, reflectivity and absorption coefficient curves under 30.0° rotation angle are 6–12 times higher than 19.1° and 40.9° rotation angles of the MoS2/PtS2 heterogeneous interfaces. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heterogeneous interfaces are 19.1°, 30.0° and 40.9°.
We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. Keywords: MoS2/PtS2 heterogeneous structure Twisting angle Strain engineering Optical performance School of Logistic Engineering, Wuhan University of Technology, Wuhan 430070, China School of Physics, University of Electronic Science and Technology of China, Chengdu 610054, China c College of Engineering, Swansea University, Swansea SA1 8EN, UK b Study on electronic and optical properties of the twisted and strained MoS2/ PtS2 heterogeneous interface Shuo Denga,c, Yan Zhangb, Lijie Lic,
Applied Surface Science 476 (2019) 308–316Ĭontents lists available at ScienceDirectĪpplied Surface Science journal homepage: Full Length Article