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

Boron-added CoSi, CoSi 0.98B 0.02, 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 CoSi 0.98B 0.02 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 ignoredmore » when the alloying method is used to improve thermoelectric properties.« less
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:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 120; Journal Issue: 3; Journal ID: ISSN 0021-8979
American Institute of Physics (AIP)
Research Org:
Anhui Institute of Information Technology, Anhui (China)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
36 MATERIALS SCIENCE; thermoelectric; Gruneisen parameter; Debye approximation; CoSi
OSTI Identifier: