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Title: Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02

Abstract

Boron-added CoSi, CoSi0.98B0.02, possesses a very high thermoelectric power factor of 60 μW cm-1 K-2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms are intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi0.98B0.02 has been studied. Here we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands while Ge substitution only shifts the Fermi level upward into the conduction band. Lastly, our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is usedmore » to improve thermoelectric properties.« less

Authors:
ORCiD logo [1];  [2];  [3]
  1. Anhui Institute of Information Technology, Anhui (China). Dept. of Basic Teaching
  2. Chongqing Univ., Chongqing (China). College of Physics
  3. Michigan State Univ., East Lansing, MI (United States). Dept. of Chemical Engineering and Materials Science
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Revolutionary Materials for Solid State Energy Conversion (RMSSEC); Anhui Institute of Information Technology, Anhui (China)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1261103
Grant/Contract Number:  
SC0001054
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 120; Journal Issue: 3; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; thermoelectric; Gruneisen parameter; Debye approximation; CoSi

Citation Formats

Sun, Hui, Lu, Xu, and Morelli, Donald T. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02. United States: N. p., 2016. Web. doi:10.1063/1.4959209.
Sun, Hui, Lu, Xu, & Morelli, Donald T. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02. United States. doi:10.1063/1.4959209.
Sun, Hui, Lu, Xu, and Morelli, Donald T. Thu . "Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02". United States. doi:10.1063/1.4959209. https://www.osti.gov/servlets/purl/1261103.
@article{osti_1261103,
title = {Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02},
author = {Sun, Hui and Lu, Xu and Morelli, Donald T.},
abstractNote = {Boron-added CoSi, CoSi0.98B0.02, possesses a very high thermoelectric power factor of 60 μW cm-1 K-2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms are intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi0.98B0.02 has been studied. Here we present a study of the substitution of Ge for Si atoms in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands while Ge substitution only shifts the Fermi level upward into the conduction band. Lastly, our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.},
doi = {10.1063/1.4959209},
journal = {Journal of Applied Physics},
number = 3,
volume = 120,
place = {United States},
year = {2016},
month = {7}
}

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