期刊
SCRIPTA MATERIALIA
卷 169, 期 -, 页码 87-91出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2019.05.014
关键词
Seebeck coefficient; Electrochemical potential; La3-xTe4; DFT; Quasiharmonic
类别
资金
- National Aeronautics and Space Administration
- National Science Foundation (NSF) [CMMI-1825538]
- NSF [ACI-1548562, DMR-1744213]
- Pennsylvania State University's Institute for CyberScience through the ICS Seed Grant Program
- Office of Science of the US Department of Energy [DE-AC02-05CH11231]
A thermodynamic understanding of Seebeck coefficient was demonstrated in terms of electrochemical potential. It divided the contributions to the Seebeck coefficient into two contributions: the effect of thermal electronic excitations due to Fermi distribution and the effect of charge carrier gradient due to thermal expansion. The procedure is illustrated within the rigid band approximation in terms of the electronic density-of-states and the quasiharmonic approximation in terms of the phonon density-of-states. Numerical results were given using the n-type high temperature thermoelectric material La3-xTe4 at x = 0.0.25, and 033 as the prototype at a variety of carrier concentrations. (C) 2019 Published by Elsevier Ltd on behalf of Acta Materialia Inc.
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