复杂晶体的化学键和非线性光学效应

Chemical Bond of Complex Structure Crystals and Nonlinear Optical Effect

系统地提出了复杂晶体化学键的介电理论方法 ,计算了一些非线性晶体的二阶极化系数dij.计算结果和实验值符合很好 ,同时表明这种方法不仅可应用于复杂晶体 ,还提供了材料设计的某些依据 .

A theoretical method on constituent chemical bonds of complex crystals based on the dielectric theory of solids has been proposed systematically,the independent nonlinear optical tensor coefficients d ij of some typical NLO crystals with complex structures have been quantitatively calculated.Theoretical values agree with experimental data satisfactorily.This work shows that our method has a good application in dealing with optical nonlinearities of complex crystals,it also would be useful in designing or modifying new NLO crystal materials.