Heterovalent cations substitution to design asymmetric chalcogenides with promising nonlinear optical performances

Autor:	Ru-Ling Tang, Zi-Xia Chen, Ya-Nan Li, Wen-Dong Yao, Sheng-Ping Guo
Rok vydání:	2021
Předmět:	Materials science Band gap Infrared Chalcogenide General Chemistry Crystallography chemistry.chemical_compound chemistry Group (periodic table) Polarizability Materials Chemistry Tetrahedron Orthorhombic crystal system Isostructural
Zdroj:	Journal of Materials Chemistry C. 9:8659-8665
ISSN:	2050-7534 2050-7526
Popis:	Metal chalcogenides are charming candidates for nonlinear optical (NLO) materials due to their multiple functional structural units and large polarizability. Here, isostructural Sn-based chalcogenides BaZnSnQ4 (Q = S, Se) were successfully synthesized based on the idea of heterovalent cations co-substitution of the Ga site in the parent BaGa2Se4. They crystallize in an orthorhombic system with polar space group Fdd2. Their structures are built by the NLO functional motifs ZnQ4 and SnQ4 tetrahedra. BaZnSnS4 (1) and BaZnSnSe4 (2) exhibit good SHG effects (0.6 and 1.0 times than that of AgGaS2) and also show type-I phase-matchable behaviors. In addition, their laser-induced damage thresholds are about 9.8 and 5.7 times higher than that of AgGaS2, respectively. BaZnSnS4 possesses a larger bandgap (3.25 eV) among the quaternary chalcogenide AMIIMIVQ4 (A = Sr, Ba; MII = Zn, Cd, Hg; MIV = Si, Ge, Sn; Q = S, Se) system. On the basis of theoretical calculation result, the source of SHG responses can be assigned to the synergetic effect of large distorted tetrahedral units. The achievement of this work provides a route to obtain new infrared NLO materials.
Databáze:	OpenAIRE
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