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Issue 35, 2010
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Syntheses, crystal structures and thermoelectric properties of two new thallium tellurides: Tl4ZrTe4 and Tl4HfTe4

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Abstract

Three new isostructural tellurides Tl4MTe4 with M = Zr and Hf were prepared from the constituent elements. Single crystal X-ray diffraction data analyses showed that these compounds belong to a new structure type, adopting the space group R[3 with combining macron] with the unit cell dimensions of a = 14.6000(5) Å and c = 14.189(1) Å when M = Zr, and a = 14.594(1) Å and c = 14.142(3) Å when M = Hf (Z = 9). The structure consists of M atoms in distorted octahedra formed by Te atoms, which are face-condensed to oligomeric M3Te12 units. The structure refinement of the Zr compound revealed an additional site, occupied by 10% Zr, leading to a refined formula of Tl4Zr1.03Te4. The electronic structure calculations predict semiconducting behavior for the stoichiometric compounds, which is in accordance with the experimental results. The thermoelectric properties of both compounds were determined, and the maximum values of the dimensionless figure-of-merit, ZT, were found to be 0.16 at 420 K for Tl4ZrTe4 and 0.09 at 540 K for Tl4HfTe4 in the measured temperature regime.

Graphical abstract: Syntheses, crystal structures and thermoelectric properties of two new thallium tellurides: Tl4ZrTe4 and Tl4HfTe4

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Publication details

The article was received on 07 May 2010, accepted on 20 Jun 2010 and first published on 02 Aug 2010


Article type: Paper
DOI: 10.1039/C0JM01363C
Citation: J. Mater. Chem., 2010,20, 7485-7490
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    Syntheses, crystal structures and thermoelectric properties of two new thallium tellurides: Tl4ZrTe4 and Tl4HfTe4

    C. R. Sankar, S. Bangarigadu-Sanasy, A. Assoud and H. Kleinke, J. Mater. Chem., 2010, 20, 7485
    DOI: 10.1039/C0JM01363C

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