Sunila Bakhsh

Lead-free Cs2MH6 (M = Ge, Sn) vacancy-ordered double perovskites for optoelectronic applications: a first-principles study

Abstract Lead-free vacancy-ordered double perovskite hydrides are gaining attention as environmentally friendly materials for next-generation optoelectronic applications. In this work, first-principles density functional theory (DFT) calculations are employed to systematically in...