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Updated: Aug 24, 2025

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Published on: October 31, 2019
PbBe2B2O6: an ultraviolet nonlinear-optical crystal with unprecedented π-π interacting BeBO5 group
Yi-Gang Chen1, Xingxing Jiang2, Yuanyu Yang1
1Key Laboratory of Magnetic Molecules and Magnetic Information of Ministry of Education, School of Chemistry and Material Science, Shanxi Normal University, Taiyuan 030031, China. zhangxm@sxnu.edu.cn.
Abstract:
π-Conjugated-group systems are fascinating and have been pursued for nonlinear materials owing to their superior optical and electronic properties, but are so far quite limited. Here, we report a new ultraviolet (UV) nonlinear-optical (NLO) beryllium borate crystal PbBe2B2O6 that manifests an unprecedented π-π interacting BeBO5 group, constructed by interconnected π-conjugated BeO3 and BO3 units. The PbBe2B2O6 crystal has a short UV cutoff wavelength of 249 nm, phase-matching behavior in the whole transmission region from UV to IR light region (249-3166 nm), and remarkably the largest NLO effect (18.5 × KDP) among the π-conjugated UV NLO crystal materials. Theoretical calculation unravels that the highly NLO-active BeBO5 group has strong π-π interactions. This work offers an innovative source of BeO3-participating NLO materials and expands the frontier of NLO research.
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