[1]林哲帅,吴以成.紫外非线性光学晶体分子设计[J].中国材料进展,2015,(4):001-07.[doi:10.7502/j.issn.1674-3962.2015.04.01]
 LIN Zheshuai,WU Yicheng.Molecular Design for Ultraviolet Nonlinear Optical Crystals[J].MATERIALS CHINA,2015,(4):001-07.[doi:10.7502/j.issn.1674-3962.2015.04.01]
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紫外非线性光学晶体分子设计()
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中国材料进展[ISSN:1674-3962/CN:61-1473/TG]

卷:
期数:
2015年第4期
页码:
001-07
栏目:
特约研究论文
出版日期:
2015-04-30

文章信息/Info

Title:
Molecular Design for Ultraviolet Nonlinear Optical Crystals
作者:
林哲帅吴以成
北京人工晶体研究发展中心,中科院功能晶体与激光技术重点实验室,中国科学院理化技术研究所,北京 100190,中国
Author(s):
LIN Zheshuai WU Yicheng
Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
关键词:
紫外非线性光学晶体分子设计构效关系阴离子基团理论与第一性原理方法
DOI:
10.7502/j.issn.1674-3962.2015.04.01
文献标志码:
A
摘要:
紫外非线性光学晶体对全固态激光器的发展起着举足轻重的作用。对性能优秀的紫外非线性光学晶体的探索是光电功能材料领域的研究热点。如何在种类繁多的晶体材料中高效地搜索并获得结构优化的紫外非线性光学晶体,是当前此领域研究的关键性问题。本文对非线性光学材料构效关系研究的发展历史进行了回顾,重点介绍了阴离子基团理论以及第一性原理方法在新型紫外非线性光学材料探索中的重要应用。这些材料计算模拟方法能够较准确地预测紫外非线性光学晶体的关键光学参数,并定量和直观地分析其与晶体结构特征之间的内在关系。理论模拟与结构搜索、化学合成、粉末倍频效应测试、单晶生长等实验手段紧密结合,组成了快速高效的非线性光学材料分子设计专家系统。通过具体的科研数据及成果显示,这一基于分子工程学基础上的专家系统的发展和完善,将能加快研究步伐,提升非线性光学晶体的自主创新水平。
Abstract:
Ultraviolet (UV) nonlinear optical (NLO) crystals play crucial role in the applications of the all-solid-state lasers. Exploration on the UV NLO crystals with superior performance is a research hotspot in optoelectronic functional materials, so the key point is how to efficiently find the suitable candidates with optimized structural features. In this work, we review the research history of the structure-property relation in UV NLOcrystals, especially focusing on the important roles of anionic group theory and first-principles theory in this topic. These two materials simulatedmethods can not only accurately predict the key optical properties in UV NLO crystals, but also quantitatively andintuitively elucidate the intrinsic relation between property and structure. The strong synergies among materials simulations, target structure searching, compound synthesis, powder NLO test and single crystal growthresult in the construction of a molecular design system for the UV NLO crystals. The development of this system maysignificantly improve the research efficiency and greatly prompt the innovation capability on the NLO crystals in China.
更新日期/Last Update: 2015-03-30