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Issue 8, 2017
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Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0–1)

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Abstract

In this work, the Ba9Sn3Te15 compound has been synthesized for the first time under high pressure and high temperature conditions. Single-crystal X-ray diffraction analysis shows that Ba9Sn3Te15 crystallizes into a hexagonal structure with a space group of P[6 with combining macron]c2 (188) and lattice parameters of a = b = 10.2403(1) Å, and c = 20.7720(2) Å. The crystal structure contains trimeric one-dimensional chains with face-sharing SnTe6 octahedrons stacked along the c-axis. These chains are arranged in a triangular lattice in the ab plane. The energy dispersive X-ray spectroscopy measurement for a single crystal of Ba9Sn3Te15 shows approximately 6% vacancies on the Sn sites. The anion Te can be substituted by Se to form Ba9Sn3(Te1−xSex)15 with x = 0–1. The resistivity and Seebeck coefficient measurements were performed. Ba9Sn3Te15 behaves similar to a semiconductor with a band gap of approximately 24 meV. When Se is doped, the resistivity increases and the band gap is enhanced to 508 meV for x = 1. The Seebeck coefficient ranges from 31 μV K−1 to 90.7 μV K−1. Ab initio calculations were also performed to study the density of states and band structures for Ba9Sn3Te15 and Ba9Sn3Se15.

Graphical abstract: Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0–1)

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Publication details

The article was received on 23 Apr 2017, accepted on 18 Jun 2017 and first published on 20 Jun 2017


Article type: Research Article
DOI: 10.1039/C7QI00219J
Citation: Inorg. Chem. Front., 2017,4, 1337-1343
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    Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0–1)

    J. Zhang, R. Su, X. Wang, W. Li, J. Zhao, Z. Deng, S. Zhang, S. Feng, Q. Liu, H. Zhao, P. Guan and C. Jin, Inorg. Chem. Front., 2017, 4, 1337
    DOI: 10.1039/C7QI00219J

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