Structural and optoelectronic properties of the inorganic perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) for solar cell application

Abstract

We predict the structural, electronic and optic properties of the inorganic Ge-based halide perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) by using first-principles method. In particular, absolute electronic energy band levels are calculated using two different surface terminations of each compound, reproducing the experimental band alignment.

References in corpus (2)

• Influence of halide composition on the structural, electronic, and optical properties of mixed CH${}_3$NH${}_3$Pb(I${}_{1-x}$Br${}_x$)${}_3$ perovskites calculated using the virtual crystal approximation method
• First-principles study on the electronic and optical properties of inorganic perovskite Rb1-xCsxPbI3 for solar cell applications