Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br)
Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br)
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深紫外非线性光学晶体：Ba3P3O10X (X = Cl, Br)
DOI：
10.1021/ja411272y
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发表时间：
2014
影响因子：
15
通讯作者：
Chen Ling
中科院分区：
文献类型：
--
作者：
Yu Peng;Wu Liming;Zhou Liujiang;Chen Ling
深紫外非线性光学（deep-UV NLO）晶体是利用固体激光器的直接二次谐波产生（SHG）产生波长小于200nm的相干光而引起世界范围内的兴趣。已经发现了前所未有的深紫外NLO磷酸盐，它们具有自己的结构类型Ba3P3O10Cl (BPOC), Ba3P3O10Br (BPOB)，它们在I型相匹配行为中表现出中等的粉末SHG强度，紫外截止边短为180 nm（单晶测量，是迄今为止磷酸盐中最短的值之一）。值得注意的是，c1 - p3o105构建单元的几何形状和极化受到晶体填充的影响。DFT计算和截断能量依赖的SHG系数分析表明，SHG的来源是不对称的c1 - p3o105阴离子、Ba2+阳离子和Cl - / br -阴离子的协同作用。
Deep-ultraviolet nonlinear optical (deep-UV NLO) crystals are of worldwide interest for the generation of coherent light with wavelength below 200 nm by the direct second-harmonic generation (SHG) output from solid-state lasers. The unprecedented deep-UV NLO phosphates representing their own structure types, Ba3P3O10Cl (BPOC), Ba3P3O10Br (BPOB), have been discovered, which display moderate powder SHG intensities in type I phase matchable behaviors with a short UV cutoff edge of 180 nm (measured by a single crystal, one of the shortest values among phosphates to date). Insightfully, the geometry and polarization of theC1-P3O105–building unit are affected by the crystal packing. DFT calculations and cutoff energy dependent SHG coefficient analyses reveal that the SHG origin is from the cooperation of asymmetricC1-P3O105–anion, Ba2+cation, and Cl–/Br–anion.