Contribution to the study of the doping effect on the characteristics of some semiconductor compounds, theoretical study

Abstract

This study investigates the impact of doping three distinct semiconductor materials—SrTiO3 with zinc(Zn), CuInS2 with aluminum (Al),and ZnO with tellurium(Te)—on their structural,mechanical, electronic, and optical properties. The objective is to assess the potential suitability of these doped materials for integration into photovoltaic applications, with a particular focus on their relevance to Cu(In,Ga) Se2(CIGS)solar cells. Comprehensive computational analyses utilizing the CASTEP program reveal intriguing insights into the effects of doping on these materials. The findings indicate subtle structural distortions, mechanical property alterations, shifts in electronic properties,and changes in optical absorption spectra resulting from each doping process. While these results offer valuable insights, the successful utilization of these doped materials in CIGS solar cells.