Ab initio study of electron mean free paths and thermoelectric properties of lead telluride
Name
Chen_Ab inito study.pdf
Size
3.57 MB
Format
Adobe PDF
Checksum (MD5)
2cfa58d2df3c4c022d5d76fc7e96721c
Author(s)
Song, Qichen
Liu, Te Huan
Zhou, Jiawei
Ding, Zhiwei
Chen, Gang
Date Issued
October 2017
Journal
Materials Today Physics
Publisher
Elsevier BV
Citation
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
Version
Author's final manuscript
Abstract
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.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
Creative Commons Attribution-NonCommercial-NoDerivs License
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1016/J.MTPHYS.2017.09.002
