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研究了LiF为助熔剂体系下的δ-LiZnPO4的结晶特性,通过自发结晶得到了尺寸为1~3 mm的透明块状δ-LiZnPO4和Li4Zn(PO4)2共晶体,通过PXRD衍射分析和元素分析确定了共晶体的相组成,并对从共晶体中分离出的δ-LiZnPO4晶体结构进行了分析.结果表明:δ-LiZnPO4晶体具有非中心对称结构,属于正交晶系,空间群为Pna21,晶格常数a=1.00085 nm,b=0.49390 nm,c=0.66545 nm,Z=4;δ-LiZnPO4是由PO4、ZnO4和LiO4四面体构筑成的具有类似ABW型分子筛结构的化合物.采用水热法制备了尺寸约为10 μm的纯相透明的δ-LiZnPO4晶体.粉末倍频测试表明,δ-LiZnPO4晶体倍频效应约为KDP的1.7倍,紫外截止边约为218 nm,是一种有潜在应用价值的紫外非线性光学晶体. 相似文献
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β-LiZnPO_4 single crystal was successfully synthesized via hydrothermal method. It crystallizes in the trigonal space group R3 with a = b = 13.6490 ?, c = 9.1123 ?, γ = 120.00° and Z = 18. Structure of the crystal is constructed by LiO_4, ZnO_4 and PO_4 tetrahedral units to form a three-dimensional(3 D) framework. The crystal has a high transmission ranging from 350 to 800 nm with UV cut-off edge at 220 nm. The nonlinear optical efficiency of the as-prepared β-LiZnPO_4 is about 1.2 times as large as that of KDP(KH_2PO_4) standard. Additionally, band structure and density of states calculations for β-LiZnPO_4 were performed using the total-energy code CASTEP, based on density functional theory(DFT). 相似文献
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