卤素离子诱导的结构相变产生具有平衡非线性光学性质的HgBr多晶型物。
Halogen-Ion-Induced Structural Phase Transition Giving a Polymorph of HgBr with Balanced Nonlinear Optical Properties.
作者信息
Wu Qi, Yang Can, Ma Jie, Liu Xian, Li Yanjun
机构信息
Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, College of Chemistry and Chemical Engineering, Hubei Normal University, Huangshi 435002, People's Republic of China.
Department of Chemistry, Key Laboratory of Hubei Province for Coal Conversion and New Carbon Materials, School of Chemistry and Chemical Engineering, Wuhan University of Science and Technology, Wuhan 430081, People's Republic of China.
出版信息
Inorg Chem. 2021 Dec 20;60(24):19297-19303. doi: 10.1021/acs.inorgchem.1c03099. Epub 2021 Dec 2.
The key to developing new infrared nonlinear optical (NLO) materials is balancing second-order nonlinear optical effects and the laser-induced damage threshold (LIDT). In this paper, a new polymorph of HgBr (222) was synthesized by a "halogen-ion-induced effect" in solution, which features a crystal structure different from that of the original phase (2) and exhibits better NLO properties. Its powders show a strong SHG effect (9 × KDP), a high LIDT (30 × AgGaS), a wide infrared transparent range, and stability in air, making it a prospective NLO material in the IR region. In addition, the above excellent NLO characteristics are well illustrated in DFT theoretical calculations. More importantly, experimental results show that the new infrared NLO polymorph with excellent comprehensive properties could be controllably obtained by using the halogen-ion-induced strategy.
开发新型红外非线性光学（NLO）材料的关键在于平衡二阶非线性光学效应和激光诱导损伤阈值（LIDT）。本文通过溶液中的“卤素离子诱导效应”合成了一种新型的HgBr（222）多晶型物，其晶体结构与原始相（2）不同，并表现出更好的NLO性能。其粉末显示出强烈的倍频效应（9×KDP）、高激光诱导损伤阈值（30×AgGaS）、宽红外透明范围以及在空气中的稳定性，使其成为红外区域有前景的NLO材料。此外，上述优异的NLO特性在密度泛函理论（DFT）计算中得到了很好的说明。更重要的是，实验结果表明，通过使用卤素离子诱导策略可以可控地获得具有优异综合性能的新型红外NLO多晶型物。
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