Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF6] group to design deep-ultraviolet zero-order waveplate materials

Abstract

The capability of zero-order waveplates to manipulate the polarization of fundamental-frequency light has garnered significant attention in light of the rapid advancements in laser technology. In particular, zero-order waveplate materials in the deep-ultraviolet range (DUV; λ < 200 nm) are in urgent and short supply. In this study, three new aluminum fluorides, AlF3 (P6/mmm), BaAlF5 (I4/m), and Li2KAl2F9 (C2/m), have been successfully designed and synthesized through a strategy that combines the perfluorinated [AlF6] group with alkali and alkaline-earth metals. The results of experimental and theoretical calculations indicate that three new aluminum fluorides have a short cutoff edge (λ < 200 nm) and small birefringence (0.0006–0.0056@1064 nm). In addition, the AlF3 (P6/mmm) has the shortest wavelength of 125 nm based on theoretical calculations, which is comparable to the shortest wavelength of the commercially available MgF2. However, its birefringence of 0.0006@1064 nm is about 20 times lower than that of the MgF2 (0.012@546 nm), making it highly advantageous for fabricating deep-ultraviolet zero-order waveplate materials. Further microscopic analysis reveals that the [AlF6] group exhibits a substantial band gap of 9.17 eV and small polarizability anisotropy, indicating that the aluminum fluorides are potential candidates for designing suitable compounds for DUV zero-order waveplate materials.

Graphical abstract: Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF6] group to design deep-ultraviolet zero-order waveplate materials

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Article information

Article type
Paper
Submitted
14 Feb 2025
Accepted
27 Mar 2025
First published
31 Mar 2025

Dalton Trans., 2025, Advance Article

Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF6] group to design deep-ultraviolet zero-order waveplate materials

S. Liu, L. Zhang, K. Li, X. Ma, X. Long and Y. Yang, Dalton Trans., 2025, Advance Article , DOI: 10.1039/D5DT00356C

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