Nd2CaB10O19: A potential self-activated and self-frequency-doubling multifunctional crystal
Nd2CaB10O19: A potential self-activated and self-frequency-doubling multifunctional crystal
复制标题
DOI：
10.1016/j.jssc.2021.122558
复制
发表时间：
2021-12
影响因子：
3.3
通讯作者：
Jingcheng Feng;Youquan Liu;Yanling Cheng;Heng Tu;Feidi Fan;Jun Shen;Zheshuai Lin;Guochun Zhang
中科院分区：
文献类型：
--
作者：
Jingcheng Feng;Youquan Liu;Yanling Cheng;Heng Tu;Feidi Fan;Jun Shen;Zheshuai Lin;Guochun Zhang
采用CaO-Li_2 O-B_2 O_3为助熔剂，采用高温溶液法生长了Nd_2CaB_（10）O_（19）自激活自倍频晶体。晶体属非中心对称单斜空间群C2（No.5），晶胞参数a = 10.9278（17）B = 6.5176（9），c = 9.0254（15），β = 91.758（7）°，Z = 2。晶体结构中含有B5 O 12双环五硼酸酯基团，它们连接在一起形成一个无限大的二维双电层。Nd_2CaB_（10）O_（19）具有较高的Nd ~（3+）浓度（6.22 × 10 ~（21）ions/cm ~ 3），并具有中等的二次谐波响应（0.6 × KDP），在近红外范围内有较强的荧光发射，以及中等的荧光寿命。此外，通过第一性原理计算对Nd 2CaB 10 O 19的光学性质进行了理论分析。
A neodymium-based self-activated and self-frequency-doubling crystal Nd2CaB10O19has been grown through the high temperature solution method using CaO–Li2O–B2O3flux for the first time. It crystallizes in noncentrosymmetric monoclinic space groupC2 (No. 5) with unit cell parameters ofa= 10.9278(17) Å,b= 6.5176(9) Å,c= 9.0254(15) Å,β= 91.758(7)°, andZ= 2. The crystal structure contains B5O12double-ring pentaborate groups, which are linked together to form an infinite two-dimensional double layer. Nd2CaB10O19has a high Nd3+concentration (6.22 × 1021ions/cm3) and exhibits a moderate second harmonic generation response (0.6 × KDP), an intense fluorescence-emission in the near infrared range, and a moderate fluorescence lifetime. Moreover, the optical properties of Nd2CaB10O19were theoretically analyzed by first principles calculations.