High Temperature investigation: crystal structure and phase stability of high thermoelectric performance phases: Cu8(Fe, Zn)3Sn2S12, Cu5FeS4
Following the discovery of a promising thermoelectric (TE) material: tetrahedrite - Cu10.5Ni1.5Sb4S13 various studies were carried out in order to reveal the beneficial role of Ni on the TE properties, purity and phase stability using NPD1. Recent investigations have shown that stannoidite compounds (Cu8(Fe, Zn)3Sn2S12) exhibits similar TE properties. However, the origins of these electrical properties together with the low thermal conductivity are still unclear. Numerous assumptions have correlated those properties to mixing in the valence of Cu and Fe or by a rattling effect induced by the Cu atoms. Unfortunately, our lab equipment does not allow confirming or rebutting these hypotheses. In parallel, we have also shown that the bornite compound (Cu5FeS4) also exhibits very low intrinsic thermal conductivity related to its complex (modulated) structure. This latter compound evidences two structural transitions at 473 K and 543 K; resulting in drastic modifications of the TE properties. In order to determine accurately the thermal evolution of both crystal structure and to provide a better understanding of the associated electrical properties, we need HT in situ NPD data.
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GUILMEAU Emmanuel; BARBIER Tristan; LEMOINE Pierric; NASSIF Vivian and VENTRAPATI Pavankumar. (2016). High Temperature investigation: crystal structure and phase stability of high thermoelectric performance phases: Cu8(Fe, Zn)3Sn2S12, Cu5FeS4. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-24-585
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