Molecular simulations of Perovskites CsXI3 (X = Pb,Sn) Using Machine-Learning Interatomic Potentials

Atefe Ebrahimi, Franco Pellegrini, Stefano De Gironcoli

Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their pract…