First Principles Study on Electronic Structure and Optical Properties of PMMA Doped InSb–Mn Alloy Polymer Matrix Composite

Abstract

InSb the group III-V semiconductor with narrow band gap is combined with Mn in various concentrations and that InSb–Mn alloy is doped with poly methyl methacrylate (PMMA). The optical properties and electronic structure of ternary InSb–Mn alloy with PMMA are investigated by first principles calculations using the DFT method. Varying Mn concentrations play an important role in the improvement of the absorption coefficient and optical conductivity. It is observed that the band gap of InSb–Mn: PMMA decreases monotonously with the increase in Mn concentration. Optical properties of InSb–Mn: PMMA, such as the optical absorption coefficient and optical conductivity, are greater than those of pure InSb. InSb–Mn: PMMA alloy is doped with PMMA polymer in order to make a thin film as PMMA is a transparent thermoplastic polymer. These results suggest a promising application of InSb–Mn: PMMA thin film in optoelectronics when the InSb doping is 24% with improved conductivity when compared with other doping ratios. This states the optimum doping ratio and the major finding in the carried out research based on modelling and simulation.