硼酸盐非线性光学晶体结构建模与光学性质研究
首发时间:2009-04-16
摘要:本文采用Materials Studio软件对非线性光学晶体偏硼酸锂(LiBO2)建立晶体结构模型,基于密度泛函理论(DFT)量子力学第一性原理方法,利用CASTEP程序模块对LiBO2能带结构、态密度和电子密度差异以及光学性质进行了研究。结果表明:LiBO2晶体具有较大倍频系数;在不同频率变化范围,LiBO2光学性质呈现非线性效应,具有宽的透光范围,对进一步应用其非线性光学性质提供了一定的参考。
For information in English, please click here
Research on Structure Model Building and Optical Properties for Borate of Non-linear Optical Crystals
Abstract:The crystal structure model building for LiBO2 of non-linear optical crystals by Materials Studio was studied in this paper. We used CASTEP based on the Density Functional Theory(DFT) of First Principle in Quantum Mechanics, calculated some properties of LiBO2, such as band structure, density of states, electron density difference and optical properties. The results shown that LiBO2 has a bigg Frequency Doubling Coefficient(FDC). In different varation ranges, the optical properties of LiBO2 presents non-linear effects and has a wide transmission. It is very useful for further applications of non-linear optical crystals that we confirm the non-linear ranges of optical properties.
Keywords: LiBO2 Non-linear Optics Structure Model Building Optical Properties
基金:
论文图表:
引用
No.3145541736112398****
同行评议
共计0人参与
勘误表
硼酸盐非线性光学晶体结构建模与光学性质研究
评论
全部评论0/1000