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Issue 80, 2016, Issue in Progress
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Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8 (M = Si, Ge; Q = S, Se) crystals and glasses†

Jianqiao He,abc   Xian Zhang,b   Pan Guo,d   Ye Cheng,b   Chong Zheng*e  and  Fuqiang Huang*ab  
Author affiliations

* Corresponding authors

a State Key Laboratory of High Performance Ceramics and Superfine Microstructure and CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, P. R. China
E-mail: huangfq@mail.sic.ac.cn

b Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, 202 Chengfu Road, Beijing 100871, P. R. China

c University of Chinese Academy of Sciences, 19 Yuquan Road, Beijing 100049, P. R. China

d Beijing Computational Science Research Centre, Beijing 100094, China

e Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, Illinois 60115, USA

Abstract

Four new compounds, K2.4Ga2.4M1.6Q8 (M = Si, Ge; Q = S, Se), were successfully synthesized via a reactive flux method. All compounds crystallize in the tetragonal system of space group I4/mcm, and belong to the Tl2Se2 structure type (Pearson symbol tI16). The isostructural scaffold of the compounds feature [(Ga0.6/M0.4)Q4/2] one-dimensional chains separated by K+ ions. The chains are composed of edge-sharing [(Ga0.6/M0.4)Q4/2] tetrahedrons. Powder and glass samples were synthesized from solid state reactions with different annealing processes. The transport properties of crystalline K2.4Ga2.4Ge1.6S8 and K2.4Ga2.4Ge1.6Se8 were determined from optical absorption measurements to be wide band gap semiconductors (Eg = 3.5 eV for K2.4Ga2.4Ge1.6S8 and 2.7 eV for K2.4Ga2.4Ge1.6Se8). A red shift of the band gap energy in the glass samples was observed. K2.4Ga2.4Ge1.6S8 glass showed a wide transparent range from 0.6 µm to 10 µm and a high soften-temperature of 533 °C. First-principles calculations fitted well with the optical measurements, indicating that the Ge substitution is beneficial for narrowing the band gap.

Graphical abstract: Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8 (M = Si, Ge; Q = S, Se) crystals and glasses

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Article information

https://doi.org/10.1039/C6RA11079G
Submitted
29 Apr 2016
Accepted
24 Jul 2016
First published
15 Aug 2016
RSC Adv., 2016,6, 76789-76794
Article type
Paper
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Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8 (M = Si, Ge; Q = S, Se) crystals and glasses

J. He, X. Zhang, P. Guo, Y. Cheng, C. Zheng and F. Huang, RSC Adv., 2016, 6, 76789
DOI: 10.1039/C6RA11079G

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