Issue 17, 2024

Heteroanionic [VOxS4−x] groups: tetrahedral units with large birefringence for mid-infrared nonlinear optical crystals

Abstract

Tetrahedral groups can possess a wide bandgap and large second harmonic generation (SHG) response in nonlinear optical (NLO) materials; however, they usually exhibit a small optical birefringence owing to the low structural anisotropy, which would deteriorate the NLO performance. Herein, the [VOxS4−x] (x = 0–4) tetrahedra that combine the V5+ cation with oxygen–sulfur hybrid anions are highlighted as a type of good structural group to overcome the above problem. Using theoretical calculations, we systematically investigate the optical and NLO properties of all reported V5+-based thiovanadates. The calculated results reveal the largest birefringence (∼0.37 in Ba5V2O4S8) among the pure tetrahedron-based compounds and indicate the potential of [VOxS4−x] units in enhancing the birefringence and well-balanced NLO performance suitable for the mid-infrared (mid-IR) region. Furthermore, Na3VOS3 in this family is selected for experimental synthesis and measurements to verify our strategy and calculations. This work demonstrates that the [VOxS4−x] (x = 0–4) tetrahedral groups, which had been overlooked for a long time, are a good type of birefringent and NLO unit for the exploration of mid-IR NLO materials.

Graphical abstract: Heteroanionic [VOxS4−x] groups: tetrahedral units with large birefringence for mid-infrared nonlinear optical crystals

Supplementary files

Article information

Article type
Research Article
Submitted
08 Jun 2024
Accepted
04 Jul 2024
First published
05 Jul 2024

Inorg. Chem. Front., 2024,11, 5528-5535

Heteroanionic [VOxS4−x] groups: tetrahedral units with large birefringence for mid-infrared nonlinear optical crystals

S. Zhang, L. Dong, B. Xu, H. Chen, H. Huo, F. Liang, R. Wu, P. Gong and Z. Lin, Inorg. Chem. Front., 2024, 11, 5528 DOI: 10.1039/D4QI01442A

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