Ab initio study of electron mean free paths and thermoelectric properties of lead telluride
Author(s)Song, Qichen; Liu, Te Huan; Zhou, Jiawei; Ding, Zhiwei; Chen, Gang
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Last few years have witnessed significant enhancement of thermoelectric figure of merit of lead telluride (PbTe) via nanostructuring. Despite the experimental progress, current understanding of the electron transport in PbTe is based on either band structure calculation using first principles with constant relaxation time approximation or empirical models, both relying on adjustable parameters obtained by fitting experimental data. Here, we report parameter-free first-principles calculation of electron and phonon transport properties of PbTe, including mode-by-mode electron-phonon scattering analysis, leading to detailed information on electron mean free paths and the contributions of electrons and phonons with different mean free paths to thermoelectric transport properties in PbTe. Such information will help to rationalize the use and optimization of nanostructures to achieve high thermoelectric figure of merit.
DepartmentMassachusetts Institute of Technology. Department of Mechanical Engineering
Materials Today Physics
Song, Qichen et al. “Ab Initio Study of Electron Mean Free Paths and Thermoelectric Properties of Lead Telluride.” Materials Today Physics 2 (September 2017): 69–77 © 2017 Elsevier Ltd
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