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

IF 6.8 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Science China Materials Pub Date : 2025-03-03 DOI:10.1007/s40843-024-3256-2

Wenbin Zhang (, ), Yabo Wu (, ), Zhihua Yang (, ), Shujuan Han (, ), Shilie Pan (, )

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引用次数: 0

Abstract

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.

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K3[HCO3]2F：一种具有强光学各向异性的新型深紫外双折射晶体

研究具有优异性能的新型深紫外（DUV）双折射晶体的一个基本挑战是在带隙（>6.2 eV）和双折射（>0.1@1064 nm）特性之间建立最佳平衡。在碳酸盐的情况下，相对较窄的带隙严重限制了它们在DUV区域的潜在应用。在这里，高电负性的F元素和氢键协同构建了一种新型碳酸盐氟化物K3[HCO3]2F。π共轭[HCO3]三角形的共面排列使得该化合物具有较大的双折射（0.165@532 nm）。K3[HCO3]2F的紫外截止边短于188 nm，进一步表明K3[HCO3]2F作为双折射晶体在DUV区域具有潜在的应用前景。理论计算表明，孤立的[HCO3·F·HCO3]块是造成双折射的主要原因。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Science China Materials Materials Science-General Materials Science

CiteScore

11.40

自引率

7.40%

发文量

949

期刊介绍： Science China Materials (SCM) is a globally peer-reviewed journal that covers all facets of materials science. It is supervised by the Chinese Academy of Sciences and co-sponsored by the Chinese Academy of Sciences and the National Natural Science Foundation of China. The journal is jointly published monthly in both printed and electronic forms by Science China Press and Springer. The aim of SCM is to encourage communication of high-quality, innovative research results at the cutting-edge interface of materials science with chemistry, physics, biology, and engineering. It focuses on breakthroughs from around the world and aims to become a world-leading academic journal for materials science.