双折射
轨道能级差
极化率
带隙
紫外线
结晶学
共轭体系
分子轨道
材料科学
Crystal(编程语言)
晶体结构
化学
群(周期表)
光学
光电子学
分子
物理
有机化学
聚合物
程序设计语言
计算机科学
作者
Zilong Chen,Hongxin Zeng,Dongdong Chu,Fangfang Zhang,Meng Cheng,Zhihua Yang,Shilie Pan
标识
DOI:10.1007/s40843-021-1998-4
摘要
A new deep-ultraviolet (DUV) birefringent crystal, LiB5O5F2(OH)4 (LBOFH), was designed and synthesized by a high-temperature solution method. Its structure features a [B5O5F2(OH)4] anionic group that is constructed by four π-conjugated units, i.e., two [BO3] units and two [BO(OH)2] units connected by the [BO2F2] 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.
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