Investigating how the electronic and optical properties of a novel cubic inorganic halide perovskite, Sr3NI3 are affected by strain

<ns4:p> <ns4:bold>Background:</ns4:bold> Inorganic Perovskite materials have sparked the attention of the solar technology sector due to their remarkable structural, optical, and electrical capabilities. In the realm of efficient LEDs, inorganic perovskites have displayed considerable promise, showcasing various benefits such as exceptional color purity, the ability to adjust emission wavelengths, and cost-effective fabrication methods. </ns4:p> <ns4:p> <ns4:bold>Methods:</ns4:bold> The study extensively investigated the bandgap, density of states, electron charge density, structural properties, dielectric properties, loss function, and absorption coefficient of Sr <ns4:sub>3</ns4:sub> NI <ns4:sub>3</ns4:sub> under strain using first-principles density functional theory (DFT). </ns4:p> <ns4:p> <ns4:bold>Results:</ns4:bold> At the Gamma (Γ) point, the unstrained flat structure of Sr <ns4:sub>3</ns4:sub> NI <ns4:sub>3</ns4:sub> exhibits a direct band gap of 0.733 eV. Observing the spin-orbital coupling (SOC)…