Newly predicted halide perovskites Mg3AB3 (A = N, Bi; B = F, Br, I) for next-generation photovoltaic applications: a first-principles study

The research examines the exceptional physical characteristics of Mg 3 AB 3 (A = N, Bi; B = F, Br, I) perovskite compounds through density functional theory to assess their feasibility for photovoltaic applications.