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Oxide perovskites have attracted increasing interest for photovoltaic applications due to their structural stability, tunable electronic properties, and potential for optoelectronic devices. Among these materials, barium stannate (BaSnO₃) exhibits promising characteristics, including a cubic crystal structure and high electron mobility. However, its wide band gap limits its absorption of the visible portion of the solar spectrum. In this context, doping represents a promising strategy for improving its physical and optical properties. This study aims to investigate the influence of cesium (Cs) doping, introduced at the barium sites, on the structural, electronic, and optical properties of BaSnO₃ at different doping concentrations, corresponding to the compositions CsₓBa₁₋ₓSnO₃ (x = 0.125, 0.25, and 0.375). The calculations are performed within the framework of density functional theory (DFT) using the Quantum ESPRESSO code. Structural optimization is carried out to evaluate the evolution of the lattice parameter as a function of cesium concentration. The electronic properties are analyzed through the band structures and density of states, while the optical properties are investigated using the dielectric functions and the related optical quantities. The obtained results show an increase in the lattice parameter and a decrease in the band gap with increasing cesium concentration. This band-gap reduction could promote the absorption of a broader portion of the solar spectrum and enhance the optoelectronic potential of the material. This study therefore contributes to a better understanding of the effect of cesium doping on the properties of BaSnO₃ and to the assessment of its potential for photovoltaic applications.
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