A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B5O10] groups

Shuaifeng Li; Weiming Li; Xiang Li; Guangsai Yang; Ning Ye; Zhanggui Hu; Yicheng Wu; Conggang Li

doi:10.1039/D4SC01853B

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A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B₅O₁₀] groups†

Shuaifeng Li,^a Weiming Li,^a Xiang Li,^a Guangsai Yang,^a Ning Ye,^a Zhanggui Hu,^a Yicheng Wu^a and Conggang Li

*^ab

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* Corresponding authors

^a Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, Tianjin University of Technology, Tianjin 300384, China

^b State Key Laboratory of Crystal Materials, Shandong University, Jinan, China

Abstract

Strong second-harmonic generation (SHG) and a short ultraviolet (UV) cutoff edge are two crucial yet often conflicting parameters that must be finely tuned in the exploration of nonlinear optical (NLO) materials. In this study, two new rare earth borate NLO crystals, K₇BaSc₂B₁₅O₃₀ (KBSBO) and Rb₂₁Sr_3.8Sc_5.2B₄₅O₉₀ (RSSBO), were rationally designed through a bifunctional primitive strategy to achieve an optimized balance between favorable SHG efficiency and UV transparency. As anticipated, both KBSBO and RSSBO exhibit a wide UV transparency window below 190 nm. Notably, these tailored crystals display strong SHG responses, with RSSBO achieving a remarkable enhancement in SHG efficiency (2 × KDP), surpassing that of most deep-UV rare earth borates containing [B₅O₁₀] groups known to date. Theoretical calculations and structural analyses reveal that the impressive SHG activities primarily stem from the [B₅O₁₀] groups and [ScO₆] polyhedra. These findings suggest promising potential for KBSBO and RSSBO crystals as beryllium-free deep UV NLO materials.

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DOI: https://doi.org/10.1039/D4SC01853B
Article type: Edge Article
Submitted: 20 Mar 2024
Accepted: 03 May 2024
First published: 06 May 2024
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry

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Chem. Sci., 2024, Advance Article

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A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B₅O₁₀] groups

S. Li, W. Li, X. Li, G. Yang, N. Ye, Z. Hu, Y. Wu and C. Li, Chem. Sci., 2024, Advance Article , DOI: 10.1039/D4SC01853B

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