LiB_(5)O_(5)F_(2)(OH)_(4):A new deep-ultraviolet birefringent crystal with[B_(5)O_(5)F_(2)(OH)_(4)]anionic group  

LiB_(5)O_(5)F_(2)(OH)_(4):一种新的含有[B_(5)O_(5)F_(2)(OH)_(4)]阴离子基团的深紫外双折射晶体

作　　者：Zilong Chen Hao Zeng Dongdong Chu Fangfang Zhang Meng Cheng Zhihua Yang Shilie Pan 陈自龙;曾浩;储冬冬;张方方;程孟;杨志华;潘世烈(CAS Key Laboratory of Functional Materials and Devices for Special Environments/Xinjiang Technical Institute of Physics and Chemistry,CAS/Xinjiang Key Laboratory of Electronic Information Materials and Devices,Urumqi 830011,China;Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]CAS Key Laboratory of Functional Materials and Devices for Special Environments/Xinjiang Technical Institute of Physics and Chemistry,CAS/Xinjiang Key Laboratory of Electronic Information Materials and Devices,Urumqi 830011,China [2]Center of Materials Science and Optoelectronics Engineering,University of Chinese Academy of Sciences,Beijing 100049,China

出　　处：《Science China Materials》2022年第9期2585-2590,共6页中国科学（材料科学（英文版）

基　　金：supported by the National Natural Science Foundation of China(61875229 and 61922084);the Key Research Project of Frontier Science of CAS(QYZDB-SSW-JSC049);the West Light Foundation of CAS(2020-JCTD-002);the Instrument Developing Project of CAS(GJJSTD20200007)。

摘　　要：A new deep-ultraviolet(DUV)birefringent crystal,LiB_(5)O_(5)F_(2)(OH)_(4)(LBOFH),was designed and synthesized by a high-temperature solution method.Its structure features a[B_(5)O_(5)F_(2)(OH)_(4)]anionic group that is constructed by four π-conjugated units,i.e.,two[BO_(3)]units and two[BO(OH)_(2)]units connected by the[BO_(2)F_(2)]unit,which forms a near-coplanar configuration.The group exhibits large anisotropic polarizability and highest unoccupied molecular orbital-lowest unoccupied molecular orbital(HUMO-LUMO)gap,thus providing a good balance between the large birefringence(0.124 at 546 nm)and band gap(7.99 eV)in LBOFH.This work suggests new possibilities for the design and fabrication of advanced DUV birefringent crystals using the novel anionic group and the expansion of their alternative system with new hydroxyfluorooxoborates.采用高温熔液法合成了一种新的深紫外双折射晶体LiB_(5)O_(5)F_(2)(OH)_(4)(LBOFH).其结构中含有新的[B_(5)O_(5)F_(2)(OH)_(4)]阴离子基团,其由四个π共轭基元构成,即:两个[BO_(3)]和两个[BO(OH)_(2)]通过[BO_(2)F_(2)]基团连接成近共面构型.该阴离子基团具有非常大的各向异性极化率和HUMO-LUMO能隙,同时LBOFH表现出大双折射(0.124@546 nm)和宽带隙(7.99 eV)间的平衡.该工作为利用这种新型阴离子基团设计和合成深紫外双折射晶体提供了新的可能性,羟基氟硼酸盐也拓展了探索深紫外双折射晶体的研究体系.

关 键 词：hydroxyfluorooxoborate anionic group birefringence deep-ultraviolet 

分 类 号：TQ131.11[化学工程—无机化工]