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KCs2[Pb2Br5(HCOO)2]: A Polar 3D Lead-Bromide Framework Exhibiting Strong Second-Harmonic Generation Response
Authors:Zi-Qi Zhou  Qi-Rui Shui  Prof Rui-Biao Fu  Yuan-Bin Fang  Prof Zu-Ju Ma  Prof Xin-Tao Wu
Institution:1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China

College of Chemistry, Fuzhou University, Fuzhou, Fujian, 350002 P. R. China;2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China;3. School of Environmental and Materials Engineering, Yantai University, Yantai, 264005 P. R. China

Abstract:The discovery of new nonlinear optical (NLO) crystals with excellent properties is in urgently demand because of their ability to generate coherent light. Herein, we report an unique NLO lead bromide formate, KCs2Pb2Br5 (HCOO)2], which has been synthesized by a mix-solvothermal method. KCs2Pb2Br5(HCOO)2] exhibits strong phase-matching second-harmonic generation (SHG) response (6.5×KDP), large birefringence (0.16@ 1064 nm), and a wide transparent window in most visible light and mid-IR region. Interestingly, KCs2Pb2Br5(HCOO)2] features a polar 3D lead-bromide framework in which adjacent Pb−Br layers containing coplanar Pb6Br6 rings are not only parallel to each other, but also orient in the same direction. These oriented arrangements are responsible for the strong SHG response and large birefringence that are elucidated by both local dipole moment and theoretical calculations. This research provides a new strategy to explore subsequent NLO crystals.
Keywords:formate  lead bromide  noncentrosymmetric  nonlinear optical crystals  second harmonic generation
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