Issue 18, 2022

The exploration of new infrared nonlinear optical crystals based on the polymorphism of BaGa4S7

Abstract

Balancing the key performance metrics, such as a large second harmonic generation (SHG) response and a wide band gap, is an extremely important but intractable challenge for the development of infrared (IR) nonlinear optical (NLO) materials. Herein, we report two new polymorphs of BaGa4S7, β- and γ-BaGa4S7, both of which crystallize in the noncentrosymmetric and polar space groups, Pmc21 (No. 26) for β-BaGa4S7 and Cm (No. 8) for γ-BaGa4S7. They show an interesting structural evolution from AA′ [Ga6S16] chains to AA′A′A [Ga6S16] chains to AAA′AAA′ [Ga6S16] chains as their structures show a transition from the high-temperature phase to the low-temperature phase. More importantly, they both exhibit excellent NLO properties. In particular, β-BaGa4S7 exhibits the best balance along with a large phase-matching SHG response (1.2 × AgGaS2) and a wide band gap (3.94 eV). These indicate that β-BaGa4S7 will be a promising IR NLO crystal for high-power laser application. The research also provides an insight into exploring new IR NLO crystals based on structural rearrangement.

Graphical abstract: The exploration of new infrared nonlinear optical crystals based on the polymorphism of BaGa4S7

Supplementary files

Article information

Article type
Research Article
Submitted
14 ጁን 2022
Accepted
26 ጁላይ 2022
First published
26 ጁላይ 2022

Inorg. Chem. Front., 2022,9, 4632-4641

The exploration of new infrared nonlinear optical crystals based on the polymorphism of BaGa4S7

Z. Qian, H. Liu, Y. Zhang, H. Wu, Z. Hu, J. Wang, Y. Wu and H. Yu, Inorg. Chem. Front., 2022, 9, 4632 DOI: 10.1039/D2QI01263D

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