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<p>A fundamental challenge in investigating novel deep-ultraviolet (DUV) birefringent crystals with superior performance is to establish an optimal balance between the bandgap (&gt;6.2 eV) and birefringence (&gt;0.1@1064 nm) properties. In the case of carbonates, the relatively narrow bandgap makes a significant restriction on their potential applications in the DUV region. Herein, the highly electronegative F element and hydrogen bonding synergistically construct a novel carbonate fluoride, K<sub>3</sub>[HCO<sub>3</sub>]<sub>2</sub>F. The coplanar arrangement of π-conjugated [HCO<sub>3</sub>] triangles allows the compound to exhibit a large birefringence (0.165@532 nm). The UV cutoff edge of K<sub>3</sub>[HCO<sub>3</sub>]<sub>2</sub>F is shorter than 188 nm, further indicating that K<sub>3</sub>[HCO<sub>3</sub>]<sub>2</sub>F has a potential application in DUV region as the birefringent crystal. Theoretical calculations reveal that the isolated [HCO<sub>3</sub>·F·HCO<sub>3</sub>] block is the main cause of the birefringence.</p>

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K3[HCO3]2F: a new deep-UV birefringent crystal exhibiting strong optical anisotropy

  • 期刊论文

  • 发表日期：

    2025年3月3日

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  • Wenbin Zhang,
  • Yabo Wu,
  • Zhihua Yang,
  • Shujuan Han,
  • Shilie Pan

摘要

A fundamental challenge in investigating novel deep-ultraviolet (DUV) birefringent crystals with superior performance is to establish an optimal balance between the bandgap (>6.2 eV) and birefringence (>0.1@1064 nm) properties. In the case of carbonates, the relatively narrow bandgap makes a significant restriction on their potential applications in the DUV region. Herein, the highly electronegative F element and hydrogen bonding synergistically construct a novel carbonate fluoride, K3[HCO3]2F. The coplanar arrangement of π-conjugated [HCO3] triangles allows the compound to exhibit a large birefringence (0.165@532 nm). The UV cutoff edge of K3[HCO3]2F is shorter than 188 nm, further indicating that K3[HCO3]2F has a potential application in DUV region as the birefringent crystal. Theoretical calculations reveal that the isolated [HCO3·F·HCO3] block is the main cause of the birefringence.