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

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. Disordered, diffusive atoms are rarely found in simple crystalline solids. Here, the authors observe one-dimensional disordered diffusion channel in a simple chain-like thermoelectric InTe with ultralow thermal conductivity.

Automated summary

Disordered, diffusive atoms are rarely found in simple crystalline solids. Here, the authors observe a one-dimensional disordered diffusion channel in a simple chain-like thermoelectric InTe with ultralow thermal conductivity, which undergoes a static-dynamic transition with increasing temperature. This phenomenon provides insight into the mechanism behind ultra-low thermal conductivity in chain-like materials.