<p>The cubic perovskite SrSiO₃’s optical, electrical, and structural characteristics were examined using density functional theory (DFT) employing Perdew–Burke–Ernzerhof (PBE) exchange–correlation functional under both the Generalized Gradient Approximation (GGA) and mBJ. Structurally, SrSiO₃ is found to be thermodynamically stable, with optimized lattice parameters aligning well with theoretical expectations. According to the electronic band structure research, the semiconductor SrSiO₃ shows an indirect band gap, meaning that the valence band maximum and conduction band minimum occur at various positions within the Brillouin zone. By density of states (DOS) computations, the Si–O bonds are largely to be blamed for forming the electronic structure, with silicon’s d-orbitals influencing the conduction band and oxygen’s p-orbitals major contributions to the valence band. SrSiO₃ is an appealing possibility for optoelectronic applications due to optical analysis based on the dielectric function indicating high absorption in the UV region. It is useful for harvesting UV light in sophisticated optical devices due to its outstanding absorption and low reflection.</p> Graphical abstract <p>The cubic perovskite SrSiO₃ was investigated using DFT with PBE under GGA and mBJ, revealing thermodynamic stability and lattice parameters consistent with theory. It exhibits an indirect band gap, with Si–O bonding playing a key role in the electronic structure—Si d-orbitals contribute to the conduction band and O p-orbitals to the valence band. Optical analysis shows strong UV absorption and low reflectivity, making SrSiO₃ a promising candidate for advanced optoelectronic devices.</p>