Thermal transport in Bi2Te3-PbTe segmented thermoelectric nanofilms

YX Ni and B Sun and J Li and S Hu and HG Zhang and H Wang and HY Wang and S Volz, CHINESE JOURNAL OF PHYSICS, 75, 199-205 (2022).

DOI: 10.1016/j.cjph.2021.11.032

By using molecular dynamic simulations, we explore the thermal transport of Bi2Te3-PbTe nanofilms with interfaces formed by different crystal orientations. We reveal that the interfacial bonding density and the ordering of the interfacial structures are important to the thermal contact resistance. The thermal contact resistance of Bi2Te3110-PbTe100 was found to be lower than that of Bi2Te3210-PbTe100 and Bi2Te3111-PbTe100 nanofilms. The obtained results suggest that the Bi2Te3-PbTe superlattice nanofilms bear ultra- low thermal conductivity at both 300 K and 700 K. Our study should shed light on the atomistic design of highly efficient segmented thermoelectric devices.

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