Synthesis, crystal structure, linear and nonlinear optical properties of quaternary sulfides

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Authors
Cicirello, Gary
Wu, Kui
Wang, Jian
Advisors
Issue Date
2021-08-01
Type
Article
Keywords
Sulfides , Synthesis , Crystal structure , Band gap engineering , Nonlinear optical properties
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Citation
Cicirello, G., Wu, K., & Wang, J. (2021). Synthesis, crystal structure, linear and nonlinear optical properties of quaternary sulfides Ba6(Cu2X)Ge4S16 (X=Mg, mn, cd). Journal of Solid State Chemistry, 300 doi:10.1016/j.jssc.2021.122226
Abstract

Three new quaternary noncentrosymmetric sulfides, and () have been synthesized by a high-temperature solid-state method and flux growth method. The crystal structures of the compounds have been determined by single crystal X-ray diffraction. All compounds are isostructural and crystallize in the structure type and the cubic space group I ͞43d (No. 220) with unit cell parameters of a ​= ​14.308 ​Å (()), a ​= ​14.299 (2) Å (()), and a ​= ​14.336 (2) Å (()). The structure demonstrates good structural flexibility of mixing occupancy between Cu and X (X ​= ​Mg, Mn, Cd) at the Wyckoff site 12a. The structure consists of a distorted 3-dimensional framework constructed by (Cu/X) and tetrahedra. The divalent metals doped into the structure tune the band gaps of the compounds and contribute to good Second Harmonic Generation (SHG) response and high Laser Damage Threshold (LDT).

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Publisher
Elsevier
Journal
Book Title
Series
Journal of Solid State Chemistry;Vol. 300
PubMed ID
DOI
ISSN
0022-4596
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