深紫外非线性光学晶体Ba_(2)P_(2)O_(7)的合成、表征与性能研究  

Synthesis,Characterization and Properties of Deep Ultraviolet Nonlinear Optical Crystal Ba_(2)P_(2)O_(7)

作　　者：赵欢欢 吕佳荣 吴磊[1] 陈兆慧[1] ZHAO Huanhuan;LYU Jiarong;WU Lei;CHEN Zhaohui(Key Laboratory of Oil&Gas Fine Chemicals,Ministry of Education and Xinjiang Uygur Autonomous Region,School of Chemical Engineering,Xinjiang University,Urumqi Xinjiang 830017,China)

机构地区：[1]新疆大学化工学院石油天然气精细化工教育部和新疆维吾尔自治区重点实验室,新疆乌鲁木齐830017

出　　处：《新疆大学学报（自然科学版）（中英文）》2022年第5期584-591,共8页Journal of Xinjiang University(Natural Science Edition in Chinese and English)

基　　金：国家自然科学基金(51962033)。

摘　　要：将碱土金属钡引入焦磷酸盐,通过高温固相法合成了一种新的非线性光学材料Ba_(2)P_(2)O_(7),该化合物结晶于P6^(-)2m(No.189)非中心空间群,其三维网状结构中,P_(2)O_(7)基团按照ABAB方式形成不同朝向的P_(2)O_(7)二聚体簇;钡原子与氧原子配位形成Ba O_(10)和Ba O_(11)多面体.研究结果表明:该晶体具有短的紫外截止边(195 nm)及良好的热稳定性,同时讨论了二阶倍频效应与阴离子基团排布之间的关系.第一性原理计算证明了该化合物的光学性能主要决定于P-O基团.In this study,the alkaline earth metal Ba was introduced into pyrophosphates and a new nonlinear optical material Ba_(2)P_(2)O_(7) was synthesized by high temperature solid-state method.The compound crystallized in P6^(-)2m(No.189)noncentrosymmetric space group.In its three-dimensional framework,the P_(2)O_(7) groups form clusters with diferent orientations with ABAB mode.Ba atoms coordinate with oxygen atoms to form BaO_(10) and BaO_(11) polyhedra.The experimental results exhibited that the material has a short ultraviolet cutof edge(195 nm)and good thermal stability,and the relationship between the second harmonic generation and the arrangement of anionic groups is discussed emphatically.First-principles calculations elucidated that the optical properties of the compound are mainly derived from the P-O groups.

关 键 词：深紫外 Ba_(2)P_(2)O_(7) 非线性光学材料 焦磷酸盐 

分 类 号：O734[理学—晶体学]