Mathematical modelling based on deposition parameters for optical band gap estimation of Sb2S3 thin films

Abstract

A mathematical prediction model was developed to predict the band gap of Sb2S3 films based on the synthesis parameters. For the optimization of process parameters, a chemometric optimization approach was used instead of the traditional method. The band gaps of chalcogenide films were measured between 1.68 eV and 1.98 eV. The developed model was able to predict the band gap of the optimized Sb2S3 sample, measured as 1.71 eV, as 1.77 eV. The mathematical model achieved the band gap prediction of both the optimized Sb2S3 film and the test sample with a relative error of 3.51% and 2.23%, respectively. The data revealed that the developed model could reliably predict the band gap of Sb2S3 nanoparticles with a relative error of less than 5%. These findings may provide a significant advantage in nanoscale applications in terms of better understanding the predictability of the band gap of Sb2S3 films prior to synthesis.