Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices

Abstract : Defective Bi2Te3 structures have been studied with the aim of lowering the thermal conductivity in order to improve the thermoelectric figure of merit. The cross-plane thermal conductivities of structures containing point defects have been computed by means of molecular dynamics techniques, finding a maximum decrease of 70% for a 4% concentration of tellurium atom vacancies. Superlattices with modified stoichiometries have also been considered in order to find the configuration having the lowest thermal conductivity. In this case, a maximum decrease of 70% was also found. These predictions open the way to the design of efficient bulk thermoelectric materials having optimised thermal properties similar to those of superlattices.
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Soumis le : mercredi 9 mars 2016 - 18:53:34
Dernière modification le : mercredi 14 février 2018 - 09:27:10

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K. Termentzidis, Alex Pokropivny, S.-Y. Xiong, Yurii Chumakov, Pietro Cortona, et al.. Large Thermal Conductivity Decrease in Point Defective Bi2Te3 Bulk Material and Superlattices. Journal of Applied Physics, American Institute of Physics, 2013, 113 (1), 〈10.1063/1.4772783〉. 〈hal-01285861〉

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