In:
Inorganic Chemistry Frontiers, Royal Society of Chemistry (RSC), Vol. 9, No. 16 ( 2022), p. 4075-4080
Abstract:
A new Hg-based infrared nonlinear optical (IR NLO) crystal, [Ba 4 Cl 2 ][HgGa 4 S 10 ], was synthesized based on a property-oriented structural design strategy. It crystallizes in the noncentrosymmetric tetragonal space group ( I 4̄) and consists of a 3D [HgGa 4 S 10 ] 6− anionic moiety formed by corner-sharing tetrahedral HgS 4 and supertetrahedral Ga 4 S 10 clusters, as well as a 3D [Ba 4 Cl 2 ] 6+ cation network. The physical property measurements show that it can exhibit well-balanced NLO performances, including a large second-harmonic generation (SHG) response (1.5 × AgGaS 2 ), wide band gap (2.95 eV), and high laser damage threshold (∼15 × AgGaS 2 ). First-principles calculations indicate that the large SHG response of [Ba 4 Cl 2 ][HgGa 4 S 10 ] mainly originates from the strong covalent HgS 4 and GaS 4 tetrahedra and the ionic bonding [Ba 4 Cl 2 ] 6+ guest network contributes to the wide band gap of [Ba 4 Cl 2 ][HgGa 4 S 10 ].
Type of Medium:
Online Resource
ISSN:
2052-1553
Language:
English
Publisher:
Royal Society of Chemistry (RSC)
Publication Date:
2022
