The biaxial strain induced properties of ReX2 and ReXS (X = S, Se, Te) monolayers

Abstract

In this paper, we replace the sulfur atom with other atoms based on rhenium disulfide. The monolayer is combined and adjusted on the original basis. Based on the first principle, we studied the structural, electronic and optical properties of the transition metal monolayers of ReX _2 and ReXS (X = S, Se, Te). The structure resembles a ‘sandwich’. It is worth noting that ReSeS and ReSe _2 not only retain the direct band gap properties, but also have a large band gap, when the strain changes, not only the band gap changes, but also the nature of the band gap changes with each other. so they show good optical properties, and ReSe _2 and ReSeS have stronger absorption in the ultraviolet band. The band gap opened in ReSeS can be effectively adjusted by biaxial strain, and the band gap varies between direct and indirect.

Keywords

• ReX2 monolayers
• biaxial strain
• electronic structure
• optical properties