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Issue 42, 2015
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Ba2GeS4 and Mg2SnS4: synthesis, structures, optical properties and electronic structures

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Abstract

Two ternary metal chalcogenides, Ba2GeS4 and Mg2SnS4, have been synthesized by a high-temperature solid-state reaction. Single-crystal X-ray diffraction analysis reveals that they crystallize in the same space group Pnma with a three-dimensional framework composed of discrete MS4 (M = Ge and Sn) tetrahedra, but they are not isostructural. The arrangements of isolated MS4 (M = Ge and Sn) units are obviously different in the Ba2GeS4 and Mg2SnS4 structures – they have their a and c axes interchanged – and this leads to different structures for the title compounds. The UV-Vis-IR diffuse reflectance spectra show that the optical band gap is about 2.05 eV for Mg2SnS4. IR spectra of the title compounds are also measured and show a wide IR transmission range. First-principle theoretical studies are used to aid the understanding of the electronic structures and linear optical properties.

Graphical abstract: Ba2GeS4 and Mg2SnS4: synthesis, structures, optical properties and electronic structures

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Publication details

The article was received on 07 Jan 2015, accepted on 25 Mar 2015 and first published on 27 Mar 2015


Article type: Paper
DOI: 10.1039/C5RA00264H
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RSC Adv., 2015,5, 33646-33652

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    Ba2GeS4 and Mg2SnS4: synthesis, structures, optical properties and electronic structures

    K. Wu, S. Pan and Z. Yang, RSC Adv., 2015, 5, 33646
    DOI: 10.1039/C5RA00264H

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