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Quaternary semiconductor Ba8Zn4Ga2S15 featuring unique one-dimensional chains and exhibiting desirable yellow
Yan-Yan Li1, Peng-Fei Liu, Hua Lin
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002, China. linhua@fjirsm.ac.cn qlzhu@fjirsm.ac.cn.
Abstract:
The rational design and synthesis of low-dimensional chalcogenides with desired properties is vital but still an enormous challenge. Herein, a novel quaternary sulphide, Ba8Zn4Ga2S15 (FJ-2), has been designed by a cation regulation strategy and successfully prepared. It comprises a one-dimensional (1D) {[Zn4Ga2S15]16-}∞ anion chain constructed from supertetrahedron [Zn4S10] clusters. The structure of FJ-2 is unique, as in the literature there are no other 1D structures of the type X/Zn/Ga/Q (X = cations; Q = chalcogen). Moreover, FJ-2 exhibits strong yellow photoluminescence emission at room temperature. DFT calculations using the VASP software package have aided the understanding of the relationship between the optical properties and electronic structure.
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