Searching for new nonlinear optical materials on the basis of the anionic group theory
Searching for new nonlinear optical materials on the basis of the anionic group theory
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DOI：
10.1063/1.368060
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发表时间：
1998-06
影响因子：
3.2
通讯作者：
N. Ye;Qixin Chen;Bai-chang Wu;Chuangtian Chen
中科院分区：
文献类型：
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作者：
N. Ye;Qixin Chen;Bai-chang Wu;Chuangtian Chen
基于非线性光学晶体的阴离子基团理论，根据阴离子基团微观非线性系数与晶体宏观非线性系数的关系，建立了一个分析晶格中阴离子基团空间排列的评价体系。根据晶体的非线性效应，给出了一个结构判据来判断哪种晶体具有较好的阴离子基团空间排列。用计算机程序对现有的几种非线性光学晶体进行了分析，结果表明，该结构判据是可靠的。从无机晶体结构数据库的晶体学数据的几个化合物进行了评估，发现可能是很好的候选人的非线性应用。
Based on the anionic group theory of nonlinear optical crystals and the relationship between the microscopic nonlinear coefficients of the anionic group and the macroscopic coefficients of the crystal, an evaluation system has been established to analyze the spatial arrangement of the anionic groups in a crystal lattice. A structural criterion is given to find which crystal has a favorable spatial arrangement of the anionic groups in terms of its nonlinear effects. Some of the currently available nonlinear optical crystals have been analyzed in this way with a computer program to test the evaluation method, and results demonstrate that the above structural criterion is quite reliable. Several compounds with crystallographic data from an inorganic crystal structure database were evaluated and found to be possible good candidates for nonlinear applications.