期刊
CHEMISTRY OF MATERIALS
卷 33, 期 23, 页码 9317-9325出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.chemmater.1c03053
关键词
-
资金
- National Natural Science Foundation of China [51432006]
- Ministry of Education of China [IRT14R23]
- Ministry of Education
- State Administration of Foreign Experts Affairs [B13025]
- Innovation Program of Shanghai Municipal Education Commission
- Australian Research Council [DP170100411]
In this study, a new NLO crystal CISO was designed with a specific strategy to simultaneously enhance the SHG efficiency and maintain a high birefringence. The structure of CISO features cis-arrangement of oxyanion groups, leading to optimized optical properties.
Second-harmonic-generation (SHG) efficiency and birefringence are two crucial parameters for nonlinear optical (NLO) crystals. However, the simultaneous optimization of these two key parameters remains a great challenge due to their contrasting microstructure prerequisites. In this paper, the first example of tetravalent rare-earth iodate-sulfate Ce(IO3)(2)(SO4) (CISO) was designed by a defluorinated homovalent substitution strategy based on the parent compound CeF2(SO4)center dot H2O (CFSO) from the centrosymmetric to the noncentrosymmetric structure, which shows a large SHG effect of 3.5 x KDP in metal sulfates and a significant birefringence (0.259 at 546 nm) in hetero-oxyanion tetrahedral-group-based optical crystals. In the structure of CISO, both [IO3] and [SO4] groups are in the cis-position to each other, while [CeO8] polyhedra are highly distorted due to the different coordination environments of two kinds of oxyanions in one structure, which displays optimized optical anisotropy and polarizability attributed to their synergistic effect, leading to the strong SHG efficiency and sufficient birefringence. First-principles simulations for CISO have been employed to rationalize the correlations between the molecular structure and optical properties.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据