Infrared nonlinear optical sulfide CsCd4In5S12 exhibiting large second harmonic generation response. Issue 13 (4th March 2022)

• Record Type: Journal Article
• Authors: Wang, Yang; Wang, Ruiqi; Che, Xiangli; Liang, Fei; Luo, Min; Tang, Yufeng; Cao, Yunzhen; Huang, Fuqiang
• Is Part Of: Journal of materials chemistry. Volume 10:Issue 13(2022)
• Page Start: 5183
• Page End: 5189
• Publication Date: 2022-03-04
• Subjects: Materials -- Periodicals; Chemistry, Analytic -- Periodicals; Optical materials -- Research -- Periodicals; Electronics -- Materials -- Research -- Periodicals; 543.0284
• DOI: 10.1039/d1tc05800b
• Languages: English
• ISSNs: 2050-7526

Abstract

Abstract : An efficient mid-IR NLO material, CsCd4 In5 S12, achieves a good balance between a high LIDT (9.3 × AgGaS2 in the size range of 150–200 μm) and strong powder SHG (1.1 × AgGaS2 ). Abstract : A new infrared nonlinear optical quaternary sulfide, CsCd4 In5 S12, was successfully synthesized via a high-temperature reaction using the CsI flux. This new compound adopts the KCd4 Ga5 S12 -type structure crystallizing in the non-centrosymmetric (NCS) space group R 3 (No. 146). It features a 3D diamond-like network constructed by vertex-sharing distorted [CdS4 ] 6− and [InS4 ] 5− tetrahedra which are aligned along the c axis with Cs + cations dispersing in the cavities. It possesses a direct optical band gap of 2.47 eV with a wide transparency range (0.53–25 μm) and high thermal stability up to 1061 K. Moreover, CsCd4 In5 S12 achieves a good balance between a high laser-induced damage threshold (LIDT, 9.3 × AgGaS2 in the size range of 150–200 μm) and strong powder second-harmonic generation (SHG, 1.1 × AgGaS2 ) with phase matching (PM) behavior. Theoretical calculations revealed that the band edges are mainly composed of In–S bond orbitals, which make the dominant contribution to the NLO response.