摘要
提出了二次谐波效应的二次极化率矢量模型并介绍该模型的要点，该类型晶体材料的电子结构和分子结构的优化以及综合反映晶体倍频效应的物理量－二次极化强度方均值Ｐ＾２（２ω），为探索和研制该类型的晶体材料提供一定的线索。
In order to explore systematically new organometallic complexes exhibiting large second harmonic generation effect and comprehensive good properties,it is neccessary to probe deeply into the relationship between the property and the structure,so we has been advanced second order palarizability vector medel.This paper disccusses emphatically the main points of the vector model,the optimation of electronc structure and molecular structure for organometallic complex crystals,and mean square of the second order polarzabitity which reflect synthetically the frequency doubling effect of the crystal.Base on the discussion we provide the information for the exploration and development of the this types crystal materials.
基金
国家自然科学基金
福建省自然科学基金
关键词
配合物
二次谐波效应
结构优化
organometallic complex crystal,second harmonic generation effect,optimation of the structure
