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Issue 9, 2017
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Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6

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Abstract

A new metal telluride Ba3Ag3InTe6 was synthesized by a solid-state reaction at 650 °C. Crystal data: Orthorhombic, Cmc21, a = 4.5669(3) Å, b = 27.9366(16) Å, c = 13.3819(8) Å, V = 1707.3(2) Å3, and Z = 4. This compound adopts a new two-dimensional structure constructed by AgTe4 and InTe4 tetrahedra and Ba2+ cations. The edge-sharing AgTe4 tetrahedra form a puckered layer of [Ag3Te4]5− and the corner-sharing InTe4 tetrahedra form a zig-zag chain of [InTe2] that dangles from both edges of the layer. The band gap determined by UV-vis-NIR absorption spectra is estimated to be around 0.48 eV. This compound is a p-type semiconductor with high Seebeck coefficients of 325–334 μV K−1 in an entire temperature range of 320–400 K. The electrical conductivity of 9.4 S cm−1 and the thermal conductivity of 0.35 W mK−1 give a ZT value of 0.11 at 400 K. The electronic band structure reveals a direct band gap at the Γ point of the face centered primitive Brillouin zone. The density of states (DOS) analysis shows that the p-type hole transport is mostly achieved through the layer consisting of AgTe4 tetrahedra.

Graphical abstract: Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6

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Publication details

The article was received on 20 Apr 2017, accepted on 24 May 2017 and first published on 26 May 2017


Article type: Research Article
DOI: 10.1039/C7QI00210F
Citation: Inorg. Chem. Front., 2017,4, 1458-1464
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    Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6

    M.-Y. Lee, D. I. Bilc, E. Symeou, Y.-C. Lin, I.-C. Liang, T. Kyratsi and K.-F. Hsu, Inorg. Chem. Front., 2017, 4, 1458
    DOI: 10.1039/C7QI00210F

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