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Cs4Zn5P6S18I2: the Largest Birefringence in Chalcohalide Achieved by Highly Polarizable Nonlinear Optical Functional Motifs
Small ( IF 13.0 ) Pub Date : 2023-07-18 , DOI: 10.1002/smll.202303847
Xian-Dan Chai 1 , Ming-Ze Li 1 , Shu-Juan Lin 1 , Wen-Fa Chen 1 , Xiao-Ming Jiang 1, 2 , Bin-Wen Liu 1, 2 , Guo-Cong Guo 1, 2
Affiliation  

Chalcohalides not only keep the balance between the nonlinear optical (NLO) coefficient and wide band gap, but also provide a promising solution to achieve sufficient birefringence for phase-matching ability in NLO crystals. In this study, a novel chalcohalide, Cs4Zn5P6S18I2 (1) is successfully synthesized, by incorporating the highly electropositive Cs and the large electronegative I element into the zinc thiophosphate. Its 3D open framework features an edge-shared by distorted [ZnS4], ethanol-like [P2S6], and unusual [ZnS2I2] polyhedrons, which is inconsistent with the soft-hard-acids-bases theory. Remarkably, compound 1 simultaneously exhibits the large second-harmonic generation (SHG, 1.1×AgGaS2, @1.3 µm) and a wide band gap (3.75 eV) toward a high laser-induced damage threshold (16.7×AgGaS2, @1.06 µm), satisfying the rigorous requirements for a prominent infrared NLO material with concurrent SHG intensity (≥0.5×AGS) and band gap (≥3.5 eV). Moreover, to the best of the knowledge, the experimental result shows that phase 1 has the largest birefringence (0.108, @546 nm) in chalcohalide and meets phase-matching behavior demand originating from the polarizable anisotropy of NLO-functional motifs. This finding may provide great opportunities for designing birefringent chalcohalides.

中文翻译:

Cs4Zn5P6S18I2:通过高度偏振的非线性光学功能图案实现硫卤化物中最大的双折射

硫卤化物不仅保持了非线性光学(NLO)系数和宽带隙之间的平衡,而且还提供了一种有前途的解决方案,以在 NLO 晶体中实现足够的双折射以实现相位匹配能力。本研究通过将高正电性的Cs和大电负性的I元素掺入到硫代磷酸锌中,成功合成了一种新型硫代卤化物Cs 4 Zn 5 P 6 S 18 I 2 ( 1 )。其3D开放框架的特点是由扭曲的[ZnS 4 ]、类乙醇[P 2 S 6 ]和不寻常的[ZnS 2 I 2 ]多面体共享边缘,这与软硬酸碱理论不一致。值得注意的是,化合物1同时表现出大的二次谐波产生(SHG,1.1×AgGaS 2,@1.3 µm)和宽带隙(3.75 eV),达到高激光诱导损伤阈值(16.7×AgGaS 2,@1.06 µm) ),满足同时具有SHG强度(≥0.5×AGS)和带隙(≥3.5 eV)的杰出红外NLO材料的严格要求。此外,据所知,实验结果表明,第一相硫卤化物中具有最大的双折射率(0.108,@546 nm),并且满足源自NLO功能基序的可偏振各向异性的相位匹配行为需求。这一发现可能为设计双折射硫卤化物提供巨大的机会。
更新日期:2023-07-18
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