@article{6755ccc2a3224377a7c9bd36d53d82aa,
title = "An alternative approach to predict Seebeck coefficients: Application to La3−xTe4",
abstract = "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 0.33 as the prototype at a variety of carrier concentrations.",
author = "Yi Wang and Xiaoyu Chong and Hu, {Yong Jie} and Shang, {Shun Li} and Drymiotis, {Fivos R.} and Firdosy, {Samad A.} and Star, {Kurt E.} and Fleurial, {Jean Pierre} and Ravi, {Vilupanur A.} and Chen, {Long Qing} and Liu, {Zi Kui}",
note = "Funding Information: The research was carried out at the Jet Propulsion Laboratory, California Institute of Technology and The Pennsylvania State University, under a contract with the National Aeronautics and Space Administration. This work was also supported by National Science Foundation (NSF) through Grant No. CMMI-1825538 (Wang, Shang, and Liu) and by NSF through Grant No. DMR-1744213 (Wang and Chen). This research received funding from the Pennsylvania State University 's Institute for CyberScience through the ICS Seed Grant Program (Wang, Liu, and Chen). First-principles calculations were carried out partially on the LION clusters at the Pennsylvania State University supported by the Materials Simulation Center and the Research Computing and Cyberinfrastructure unit at the Pennsylvania State University, partially on the resources of NERSC supported by the Office of Science of the US Department of Energy under contract No. DE-AC02-05CH11231, and partially on the resources of Extreme Science and Engineering Discovery Environment (XSEDE) supported by NSF with Grant No. ACI-1548562. Funding Information: The research was carried out at the Jet Propulsion Laboratory, California Institute of Technology and The Pennsylvania State University, under a contract with the National Aeronautics and Space Administration. This work was also supported by National Science Foundation (NSF) through Grant No. CMMI-1825538 (Wang, Shang, and Liu) and by NSF through Grant No. DMR-1744213 (Wang and Chen). This research received funding from the Pennsylvania State University's Institute for CyberScience through the ICS Seed Grant Program (Wang, Liu, and Chen). First-principles calculations were carried out partially on the LION clusters at the Pennsylvania State University supported by the Materials Simulation Center and the Research Computing and Cyberinfrastructure unit at the Pennsylvania State University, partially on the resources of NERSC supported by the Office of Science of the US Department of Energy under contract No. DE-AC02-05CH11231, and partially on the resources of Extreme Science and Engineering Discovery Environment (XSEDE) supported by NSF with Grant No. ACI-1548562. Publisher Copyright: {\textcopyright} 2019",
year = "2019",
month = aug,
doi = "10.1016/j.scriptamat.2019.05.014",
language = "English (US)",
volume = "169",
pages = "87--91",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
}