Electronic structure, optical and thermodynamic studies on 2D SnSe_2 nanosheet: A first-principles investigation

摘要

The electronic structure, optical and thermodynamic properties of SnSe2 nanosheet were investigated using first principle calculation. Band structure of the nanosheets reveals that they are the p-type semiconductor with a band gap of 1.364 eV. Partial density of states confirms that the near at the Fermi level is mainly contributed to Se-4p electrons and the Se-4p, Sn-5s, and 5p electrons are contributed more at the conduction band. The optical properties of the SnSe2 two-dimensional nanosheet were studied in both parallel and perpendicular electric field polarizations. The dielectric, refractive and optical absorbance properties of the nanosheet indicate that the sheet is transparent. The thermodynamical properties confirm that the sheet is stable at high temperature.