The role of electron–phonon scattering on thermoelectric properties of intermetallic compounds XSi (X = Co, Rh)

In this work, we elucidated the electronic structure and thermoelectric properties of intermetallic X Si ( X = Co, Rh) compounds. By combining first-principles calculations and the Boltzmann equation within electron–phonon average approximation, thermoelectric properties of X Si are well reproduced...

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Bibliographic Details
Published in:Japanese Journal of Applied Physics 2023-02, Vol.62 (2), p.20904
Main Authors: Nam, Ho Ngoc, Suzuki, Katsuhiro, Masago, Akira, Shinya, Hikari, Fukushima, Tetsuya, Sato, Kazunori
Format: Article
Language:English
Subjects:
Boltzmann transport equation
Electrical resistivity
Electronic structure
electron–phonon scattering
First principles
Intermetallic compounds
Mathematical analysis
Phonons
Power factor
Seebeck effect
Thermoelectricity
thermoelectrics
transport properties
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Summary:In this work, we elucidated the electronic structure and thermoelectric properties of intermetallic X Si ( X = Co, Rh) compounds. By combining first-principles calculations and the Boltzmann equation within electron–phonon average approximation, thermoelectric properties of X Si are well reproduced compared to experimental observations. We found that the considerable Seebeck coefficient and low electrical resistivity give X Si a large power factor, which has the potential for thermoelectric applications. We also discussed the electron mean free paths, a possible factor affecting electrical conductivity when using the nanostructuring approach to optimize the thermoelectric performance.
ISSN:0021-4922
1347-4065
DOI:10.35848/1347-4065/acb97a