“…According to the reported literature, most experimental and theoretical works mainly focused on the structure and optoelectronic properties of BaZrS 3 , 11,18–20,22,28,29,40,41 and some theoretical computations were conducted to study the stability and properties of AB(S/Se) 3 , such as CaZrS 3 , 43 SrZrS 3 , 33 CaZrSe 3 , 12,34 BaZrSe 3 , 30 CaHfSe 3 , 12 and SrHfSe 3 . 16 To date, few experimental and theoretical studies have been conducted to examine the fundamental physical properties of different phases of Zr-based chalcogenide perovskites AZrS 3− x Se x (A = Ca, Sr, and Ba; x = 0, 1, 2, 3).…”