AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution
AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution
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AAl3P6O20（A = Rb，Cs）：通过异价取代设计的两种深紫外透明非线性光学材料
DOI：
10.1016/j.jallcom.2021.162608
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发表时间：
2021-11
影响因子：
6.2
通讯作者：
Zhaohui Chen
中科院分区：
文献类型：
--
作者：
Jiarong Lv;Yanyan Qian;Yuetong Zhu;Qun Jing;Xinmei Wang;Zhaohui Chen
●以ba5p6o20为原料，采用共价取代法制备aal3p6o20 （A = Rb, Cs）。●它们在铝基磷酸盐中具有最短的截止边（<190 nm）。●柔性p3o10基团有利于设计NCS晶体结构。我们用共价取代法得到了两种al基三磷酸盐aal3p6o20 (A = Rb, Cs)，它们在al基磷酸盐中具有最短的截断边（<190 nm）。以ba5p6o20为原料，采用共价取代策略，设计了两种深紫外（DUV）透明非线性光学（NLO）材料aal3p6o20 (A = Rb, Cs) （I， II）。两种化合物均在具有三维(3D)∞3al 3p6o 20骨架的非中心对称（NCS） C222 1 （No. 20）空间群中结晶。I和II的截止边均小于190 nm，是已报道的al基磷酸盐中最短的。此外，还讨论了它们的合成、热性能和NLO性能，并通过第一性原理计算阐明了光学性质的来源。本研究表明，硫代取代是设计DUV透明铝基磷酸盐NLO材料的有效合成途径。
● AAl 3 P 6 O 20 (A = Rb, Cs) were designed from Ba 5 P 6 O 20 by aliovalent substitution. ● They exhibit the shortest cutoff edges (<190 nm) among Al-based phosphates. ● Flexible P 3 O 10 groups are favorable for designing NCS crystal structures. We obtained two Al-based triphosphates AAl 3 P 6 O 20 (A = Rb, Cs) by aliovalent substitution and they have the shortest cutoff edges (<190 nm) among Al-based phosphates. Two deep-ultraviolet (DUV) transparent nonlinear optical (NLO) materials, AAl 3 P 6 O 20 (A = Rb, Cs) ( I, II ), have been elaborately designed from Ba 5 P 6 O 20 by aliovalent substitution strategy. Both of compounds crystallize in noncentrosymmetric (NCS) C222 1 (No. 20) space group with three-dimensional (3D) ∞ 3 Al 3 P 6 O 20 skeleton. The cutoff edges of I and II are lower than 190 nm, which are the shortest ones among the reported Al-based phosphates. In addition, their syntheses, thermal properties, NLO performances are discussed and the first-principles calculation elucidates the origin of the optical properties. This study shows that aliovalent substitution is an effective synthetic route for designing DUV transparent Al-based phosphates NLO materials.
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