双折射
化学
二次谐波产生
各向异性
范德瓦尔斯力
吸收边
吸收(声学)
Crystal(编程语言)
光电子学
非线性光学
分子物理学
光学
分子
激光器
材料科学
物理
带隙
有机化学
计算机科学
程序设计语言
作者
Youchao Liu,Xiaomeng Liu,Zheyao Xiong,Bin‐Wen Liu,Jü Xu,Lina Li,Sangen Zhao,Zheshuai Lin,Maochun Hong,Junhua Luo
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2021-09-22
卷期号:60 (19): 14544-14549
被引量:16
标识
DOI:10.1021/acs.inorgchem.1c02555
摘要
It remains a challenge to develop UV nonlinear optical (NLO) crystals that can achieve a desirable trade-off on UV absorption edge, second harmonic generation (SHG), and birefringence. Here we report a thiosulfate UV NLO crystal of a 2D van der Waals layered structure, [C(NH2)3]2SO3S. Remarkably, this thiosulfate realizes the desired trade-off, with a short absorption edge of 254 nm, a strong SHG response of approximately 2.8 times that of the benchmark KH2PO4, and a sufficient birefringence of 0.073 at the wavelength of 546 nm. In addition, it exhibits strong in-plane anisotropy of the SHG intensity. According to the first-principles calculations, the non-π-conjugated [SO3S]2– anion is the dominant SHG functional gene, while the π-conjugated [C(NH2)3]+ cation serves as the functional gene of birefringence. This is different from common UV NLO materials whose functionals of SHG and birefringence are the same. These findings indicate that combining different function genes may be an effective strategy to develop outstanding NLO materials with the desirable property trade-off.
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