Numerical investigation of electronic, dielectric and optical properties of CdO, SnO2/CdO and SnO2/CdO/PVP nanocomposites

摘要

Abstract In this work, the electronic, optical and dielectric properties of pure CdO, mixed SnO2/CdO and PVP coated SnO2/CdO nanocomposites were calculated using the finite element method (FEM) and density functional theory. In this approach, the three studied nanostructures are modeled by the following geometric shapes: cubic-CdO, orthorhombic core/shell-SnO2/CdO and nanorod SnO2/CdO/PVP. The electronic structure shows that CdO and SnO2/CdO have semiconductor character. The complex dielectric function, absorption spectra, refractive index, and reflectivity are discussed based on the electronic structure calculations. The obtained results using FEM confirm that the complex permittivity, absorption cross section, reflectivity and complex optical conductivity of CdO nanoparticle depend on their concentration in the surrounding medium and on the nature of the latter. The optical parameters spectra of CdO, SnO2/CdO and CdO/SnO2/PVP have the same evolution in the VU–Vis–NIR band. The effect of PVP coating on the optical properties of CdO/SnO2/PVP nanocomposites is also studied.