Issue 9, 2017

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

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

Supplementary files

Article information

Article type
Research Article
Submitted
20 ⵉⴱⵔ 2017
Accepted
24 ⵎⴰⵢ 2017
First published
26 ⵎⴰⵢ 2017

Inorg. Chem. Front., 2017,4, 1458-1464

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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements