利用化学键方法寻找新型光学晶体(英文)

Search for New Optical Crystals by the Chemical Bond Method

利用化学键的观点定量地研究了一些具有各种晶体结构实用材料的介电性质。采用已建立的化学键方法 ,分析了这些晶体的介电性质与其组成化学键之间的关系。更进一步 ,基于晶体的化学键方法提出了一个组合方法用于定量确定具有相似晶体结构材料的介电性质。从目前的工作中可以推导出光学晶体非线性起源的结构信息 ,因此可以在一定程度上帮助人们开展非线性光学晶体工程的研究工作。

From the chemical bond viewpoint, dielectric properties of some practical materials with various crystal structures were quantitatively studied. The correlation between constituent chemical bonds and dielectric properties of these crystals was analyzed using the proposed chemical bond method. Furthermore, on the basis of the chemical bond method a combination method was presented for the quantitative determination of dielectric properties of materials with a similar crystal structure. From the current work, we may derive structural information concerning the nonlinearity origin of optical crystals, which is helpful for the nonlinear optical crystal engineering.