Anion-dependent Hot Carrier Dynamics in Chalcogenide Perovskites SrSnX3 (X = S, Se)

Abstract

The hot carrier relaxation dynamics in inorganic perovskites SrSnS3 and SrSnSe3 has been investigated using nonadiabatic molecular dynamics simulation. The results indicate that the hot carrier relaxation dynamics strongly depends on the chalcogenide element. It is found that the hot electrons and hot holes have a fast relaxation time in SrSnS3 than SrSnSe3 with the similar excess energy due to the strong nonadiabatic couplings. Moreover, the hot holes hold a dramatic faster decay time than hot electrons for both of the two systems because of the large density of states and the smaller energy level differences in the valence band. Generally, our findings here show that the hot carrier relaxation time in chalcogenide perovskites SrSnS3 and SrSnSe3 is longer than the organic–inorganic perovskites, indicating the present chalcogenide perovskites are promising candidates for solar cell applications.