Tuning band gap and optical properties of SnX2 nanosheets: Hybrid functional studies

Abstract

Based on hybrid functional calculations, the electronic structures and optical properties are investigated in the monolayer and bilayer tin dichalcogenides SnX2 (X = S and Se) nanosheets. Numerical results show that quantum size effects are obvious on the electronic structures and optical absorption in the SnS2 and SnSe2 nanosheets. The band gap values increase when the nanosheets layer numbers decrease. Moreover, for SnSe2 nanosheet, the optical absorption coefficients are high and its threshold values lie in the visible light activity range. These results are interesting and indicate that SnS2 and SnSe2 nanosheets may serve as the promising candidates for visible optical applications.