Jul 2026
A first-principles study on the structural, optoelectronic, thermoelectric, elastic and thermodynamic functionality of lead-free direct bandgap double perovskites Rb 2 LiIrX 6 (X = Cl/Br)
The current study systematically investigates the optoelectronic, mechanical, transport, and thermodynamic properties of Pb-free halide-based double perovskites (Rb 2 LiIrX 6 , where X = Cl, Br) for energy conversion. Using density functional theory (DFT) within the fullpotential linearized augmented planewave (F...
Muhammad Ahsan, Muhammad Ammar Yasir, M. Bououdina et al.
· Modern physics letters B · 0 citations