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Cation-Modulated Aligned Arrangement of [B3O7] Units in an Unprecedented 2∞[B3O5] Layer with Remarkable Birefringence

Authors: YAN Ziting; CHU Dongdong; YANG Zhihua; PAN Shilie; ZHANG Min

DOI: 10.1007/s40843-025-3444-0Status: Verified Translated Edition
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Key Findings in This Report

• • KRBBO exhibits a birefringence of Δn = 0.08 at 546 nm, a 33–100% enhancement over the parent LiB3O5 (Δn = 0.040–0.060 at 1064 nm) and other [B3O7]-based borates, directly enabling shorter phase-matching wavelengths for deep-UV NLO applications. • • The unprecedented 2∞[B3O5] layered structure in KRBBO arises from cation-modulated dimension reduction, which aligns [B3O7] units to maximize optical anisotropy; this structural motif is absent in all previously reported borates. • • Cation substitution with mixed K/Rb (K0.7Rb1.3BaB6O11) and Li/Rb (Li2Rb2BaB18O30) alters the anionic framework dimensionality from 3D to 2D, providing a tunable handle for optimizing birefringence without sacrificing UV transparency. • • The measured birefringence of KRBBO (0.08@546 nm) exceeds that of fluorooxoborates such as LiB6O9F (0.06@1064 nm) and Li2B6O9F2 (0.07@1064 nm), indicating that cation modulation is more effective than fluorine incorporation for enhancing birefringence in [B3O7]-based systems.