Cs3Pb2(CH3COO)2X5 (X=I, Br): Halides with Strong Second‐Harmonic Generation Response Induced by Acetate Groups

다국어 초록 (Multilingual Abstract)

Nonlinear optical (NLO) crystals are the key component in solid‐state lasers. New second‐harmonic generation (SHG) effective halides, Cs3Pb2(CH3COO)2X5 (X=I, Br), have been rationally synthesized by introducing acetate groups into lead halide perovskites under moderate solvothermal conditions. Cs3Pb2(CH3COO)2X5 (X=I, Br) feature highly oriented anionic chains constructed by distorted [PbX4O2] (X=I, Br) polyhedrons. Both the theoretical studies and the dipole moment calculations uncover that their SHG effects are mainly originated from the distorted [PbX4O2] (X=I, Br) polyhedrons. Remarkably, Cs3Pb2(CH3COO)2I5 exhibits strong phase‐matching SHG response (8×KDP) and large birefringence (0.26@ 1064 nm). Moreover, Cs3Pb2(CH3COO)2X5 (X=I, Br) also possess high laser damage threshold (LDT) which are almost 27 and 41 times that of AgGaS2, respectively.
Cs3Pb2(CH3COO)2X5 (X=I, Br) featuring 1D highly oriented chain with strong second harmonic generation response are designed by rationally converting the idealized [PbX6] octahedron into the distorted [PbX4O2] polyhedron.