LiCs_2Al(PO_4)_2:一种深紫外透过的同成分熔融磷酸盐  

LiCs_2Al(PO_4)_2: a Congruently Melting Phosphate Transparent to Deep Ultraviolet Region

作　　者：贾俊荣[1] 沈耀国[1] 

机构地区：[1]闽江学院物理学与电子信息工程系,福州350108

出　　处：《人工晶体学报》2018年第2期333-337,共5页Journal of Synthetic Crystals

基　　金：福建省中青年教师教育科研项目(JAT160380)

摘　　要：通过高温自发结晶技术,制备了一种新型的磷酸盐晶体材料LiCs_2Al(PO_4)_2。单晶衍射分析表明,该物质具有类分子筛结构。其中,四面体配位的LiO_4、AlO_4和PO4共顶点连接形成了三维框架,而Cs+离子填充在孔洞中。热分析表明,该物质具有较高的熔点并且呈现同成分熔融的特点。熔化后的样品用粉末衍射仪进行了物相鉴定,证实了热分析的推论。室温下的粉末漫反射光谱显示该物质紫外截止边在200 nm以下,第一性原理计算态密度,分析了光学特性起源。A new phosphate, LiCs2AI（ PO4） 2 was synthesized through the high-temperature spontaneous crystallization technique. Sigle-crystal diffraction analysis indicates that it features a 3-dimmesional framework similar to the molecular sieve. The Li, A1 and P atoms are all four-coordinated with oxygen atoms to form terahedra, which are further interconnected with each other to construct a 3-dimmensional structure with Cs ＋ residing in the cavites. Thermal analysis suggests that it has a high melting point and melt congruently, which is verified by the powder X-ray diffraction on the melting samples. On the basis of the diffuse reflectance curve, it is also transparent down to the 200 nm, indicating that the title compound may be a promising deep ultraviolet material. The density of states was obtained from the first- priciples calculations to understand the origin of its optical properties.

关 键 词：磷酸盐 高温自发结晶技术 同成分熔融 深紫外 

分 类 号：O73[理学—晶体学]