Direct observation of one-dimensional disordered diffusion channel in a chain-like thermoelectric with ultralow thermal conductivity

Jiawei Zhang (), Nikolaj Roth, Kasper Tolborg, Seiya Takahashi, Lirong Song, Martin Bondesgaard, Eiji Nishibori and Bo B. Iversen ()
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Jiawei Zhang: Aarhus University
Nikolaj Roth: Aarhus University
Kasper Tolborg: Aarhus University
Seiya Takahashi: University of Tsukuba
Lirong Song: Aarhus University
Martin Bondesgaard: Aarhus University
Eiji Nishibori: University of Tsukuba
Bo B. Iversen: Aarhus University

Nature Communications, 2021, vol. 12, issue 1, 1-10

Abstract: Abstract Structural disorder, highly effective in reducing thermal conductivity, is important in technological applications such as thermal barrier coatings and thermoelectrics. In particular, interstitial, disordered, diffusive atoms are common in complex crystal structures with ultralow thermal conductivity, but are rarely found in simple crystalline solids. Combining single-crystal synchrotron X-ray diffraction, the maximum entropy method, diffuse scattering, and theoretical calculations, here we report the direct observation of one-dimensional disordered In1+ chains in a simple chain-like thermoelectric InTe, which contains a significant In1+ vacancy along with interstitial indium sites. Intriguingly, the disordered In1+ chains undergo a static-dynamic transition with increasing temperature to form a one-dimensional diffusion channel, which is attributed to a low In1+-ion migration energy barrier along the c direction, a general feature in many other TlSe-type compounds. Our work provides a basis towards understanding ultralow thermal conductivity with weak temperature dependence in TlSe-type chain-like materials.

Date: 2021
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DOI: 10.1038/s41467-021-27007-y

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