Modulating optical performance by phase transition in a nonlinear optical material β-Li2RbBi(PO4)2

As nonlinear optical (NLO) materials, phosphates often suffer from weak second harmonic generation (SHG) response and low birefringence. Here, we report the successful synthesis of a new UV NLO orthophosphate, β-Li2RbBi(PO4)2, by the high temperature solution method, and demonstrate that it crystall...

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Bibliographic Details
Published in:Inorganic chemistry frontiers 2023-07, Vol.10 (15), p.4496-4502
Main Authors: Wu, Lei, Zhang, Ruixin, Jing, Qun, Huang, Hongyu, He, Xianmeng, Wang, Zhongchang, Chen, Zhaohui
Format: Article
Language:English
Subjects:
Birefringence
Bismuth
First principles
High temperature
Incident radiation
Inorganic chemistry
Nonlinear optics
Optical materials
Optical properties
Phase transitions
Potassium phosphates
Second harmonic generation
Synergistic effect
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Summary:As nonlinear optical (NLO) materials, phosphates often suffer from weak second harmonic generation (SHG) response and low birefringence. Here, we report the successful synthesis of a new UV NLO orthophosphate, β-Li2RbBi(PO4)2, by the high temperature solution method, and demonstrate that it crystallizes in a polar space group of P21 and is composed of 1D 1[Bi4(PO4)8]∞ infinite chains that are constructed from 1[Bi2O11]∞ chains and [PO4] clusters. The optical functional motifs 1[Bi4(PO4)8]∞ are arranged in a parallel mode, which greatly improves the polarizability of the phosphate. As a result, β-Li2RbBi(PO4)2 presents the largest SHG response, 5.2 × KH2PO4 (KDP), at 1064 nm incident radiation among all the Bi-based phosphates. Furthermore, first-principles calculations reveal that the synergistic effect of P–O and Bi–O groups contributes significantly to the optical properties of the title compound.
ISSN:2052-1545
2052-1553
DOI:10.1039/d3qi00828b