Hou Ying, Wu Hongping, Yu Hongwei, Hu Zhanggui, Wang Jiyang, Wu Yicheng
Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, Tianjin University of Technology, Tianjin, 300384, China.
Angew Chem Int Ed Engl. 2021 Nov 22;60(48):25302-25306. doi: 10.1002/anie.202111780. Epub 2021 Oct 21.
Rationally designing a high-performance nonlinear optical (NLO) crystal remains a great ongoing challenge. It involves not only the design of noncentrosymmetric structures but also property optimization. In this communication, a new strategy for effectively designing the NLO crystal has been put forward, that is, using the structure-directing property of oxyfluoride anions to obtain a noncentrosymmetric and polar structure, and then by substitution of IO for isovalent F anions to further enhance the SHG response. With this strategy, a new iodate fluoride, Ba [MoO F(IO )](MoO F ) has been successfully designed from the Ba (MoO F )F with the cis-directing [MoO F ] groups. It exhibits a large SHG response (≈8×KDP), a wide transparent region (0.30-10.92 μm), a high laser-induced damage threshold (LDT) (88.53 MW cm ), and a large birefringence (≈0.264@532 nm). These indicate Ba [MoO F(IO )](MoO F ) would be a promising NLO crystal.
合理设计高性能非线性光学（NLO）晶体仍然是一个巨大的持续挑战。这不仅涉及非中心对称结构的设计，还包括性能优化。在本通讯中，提出了一种有效设计NLO晶体的新策略，即利用氟氧化物阴离子的结构导向性质获得非中心对称和极性结构，然后通过用IO 取代等价位的F阴离子来进一步增强倍频响应。采用这种策略，从具有顺式导向[MoO F ]基团的Ba (MoO F )F成功设计出一种新型碘酸盐氟化物Ba [MoO F(IO )](MoO F )。它表现出大的倍频响应（≈8×KDP）、宽的透明区域（0.30 - 10.92 μm）、高的激光损伤阈值（LDT）（88.53 MW cm ）和大的双折射（≈0.264@532 nm）。这些表明Ba [MoO F(IO )](MoO F )将是一种有前途的NLO晶体。
