Inorganic novel cubic halide perovskite Sr3AsI3: Strain-activated electronic and optical properties

• DOI: 10.1016/j.heliyon.2023.e19271
• Publication Date: 2023-08-18T12:18:34Z
• Authors: Avijit Ghosh; Md Ferdous Rahman; Md Rasidul Islam; Md Shoriful Islam; Mongi Amami; M. Khalid Hossain; Abu Bakar Md Ismail
• Keywords: Blueshift

In recent years, inorganic perovskite materials have attracted a lot of attention in the field solar technology due to their exceptional structural, optical, and electronic properties. This study thoroughly investigated, using first-principles density-functional theory (FP-DFT), impact compressive tensile strain on electrical properties cubic Sr3AsI3. The unstrained planar Sr3AsI3 molecule exhibits direct bandgap 1.265 eV value at Γ point. is lowered 1.212 when relativistic spin-orbital coupling (SOC) effect subjected observations. addition, structure's falling prevalence slight rise strain. optical indicators such as dielectric functions, absorption coefficient, reflectivity, electron loss function show that this component has great ability absorb visible range accordance with band characteristics. When raised, it discovered spikes constant move lower photon energy (redshift), conversely, while growing strain, increased changing behavior (blueshift). As result, regarded being ideal for use cells production electricity light management.