具有高激光损伤阈值的卤化物中红外非线性光学晶体材料的设计合成与性能研究

项目名称： 具有高激光损伤阈值的卤化物中红外非线性光学晶体材料的设计合成与性能研究

项目编号： No.91622124

项目类型： 重大研究计划

立项/批准年度： 2017

项目学科： 一般工业技术

项目作者： 陈兴国

作者单位： 武汉大学

项目金额： 80万元

中文摘要： 中红外波段非线性光学晶体材料在激光光谱、光通讯和战场激光武器对抗等方面有十分重要的应用。目前商用中红外波段非线性光学晶体均存在激光损伤阈值低的缺点，很难满足高强度激光应用的要求，因此开展具有高激光损伤阈值并兼具较大非线性光学效应和较宽红外透过范围的新型中红外波段非线性光学晶体材料的探索具有重要的学术意义和实际应用前景。本项目撇开已有黄铜矿半导体材料的红外非线性晶体结构选型，拟从具有高能隙的绝缘化合物主要是卤代酸盐和卤代含氧酸盐中探索新型中红外非线性光学材料，目标是大幅提高晶体材料激光损伤阈值，兼顾大的非线性光学效应和宽的红外透过范围，同时具有高稳定性和良好晶体生长习性等综合性能。项目实施中充分利用计算机模拟进行合理分子设计和结构选型，进而完成这类新型材料的合成制备、结构鉴定，研究各种性能，开展大尺寸晶体生长，探索出若干个综合性能优良的新型中红外非线性光学晶体材料，为其实际应用打下坚实基础。

中文关键词： 中红外非线性光学晶体；分子设计与合成；；激光损伤阈值；理论计算与模拟；卤化物

英文摘要： The nonlinear optical (NLO) crystals to be used in the mid-infrared (mid-IR) region are very important in the fields of laser spectroscopy, optical communication and high intensity laser confront etc. However, the laser damage threshold (LDT) of the currently commercialized mid-IR NLO crystals is too low, so they are difficult to meet the requirements for high intensity laser application. Therefore, to explore novel mid-IR NLO crystal materials with large LDT, strong NLO effect and appropriate mid-IR transmission range has very important academic significance and practical application prospect. In this project, we shall exclude the structural modification from the existing chalcopyrite semiconductor materials, and mainly focus on the structure from insulating compounds such as halides including halide salts and halogenated oxygen-containing salts with wide energy gap so as to show large LDT. The goal of this project is to increase greatly the laser damage threshold of mid-IR NLO crystal material, also to take into account strong NLO effect and wide IR transmission as well as high environmental stability and good crystal growth habit. In the implementation of the project we shall make full use of computer simulation for molecular design and selection of reasonable structure, and then complete the synthesis, structural characterization, performance studies of new materials, and also carry out the crystal growth to a large size. We expect to obtain a number of new mid-IR NLO crystal materials with excellent comprehensive performances, and lay a solid foundation for its practical applications.

英文关键词： Mid-IR nonlinear optical crystal;Molecular design and synthesis;Laser damage threshold;Theoretical calculation and simulation;Halides