Theoretical Modeling of the Thermoelectric Properties of Fe{sub 2}Ti{sub 1 –x}V{sub x}Sn Heusler Alloys

Journal Article · Mon Jul 15 04:00:00 EDT 2019 · Semiconductors

DOI:https://doi.org/10.1134/S1063782619070030· OSTI ID:22944945

Inerbaev, T. M. ^[1]; Akilbekov, A. T. ^[2]; Miki, H. ^[3]; Takagi, T. ^[4]; Khovaylo, V. V. ^[5]

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1. Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences (Russian Federation)
2. Gumilyov Eurasian National University (Kazakhstan)
3. Frontier Research Institute for Interdisciplinary Science, Tohoku University (Japan)
4. Institute for Fluid Sciences, Tohoku University (Japan)
5. National University of Science and Technology “MISiS” (Russian Federation)

Theoretical calculations of the electron structure and Seebeck coefficient in Fe{sub 2}Ti{sub 1 –x}V{sub x}Sn alloys for the cases of a fully ordered L2{sub 1} and partially disordered B2 Heusler crystal structure are presented. It is shown that the band-gap width increases with the substitution of Ti by V. Comparison with the available theoretical and experimental data indicates that taking into account randomness in the atomic distribution makes it possible to acquire values of the Seebeck coefficient closer to the experimental results.

• OSTI ID: 22944945
• Journal Information: Semiconductors, Journal Name: Semiconductors Journal Issue: 7 Vol. 53; ISSN SMICES; ISSN 1063-7826
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
EXPERIMENTAL DATA
HEUSLER ALLOYS
SEEBECK EFFECT
THEORETICAL DATA
THERMOELECTRIC PROPERTIES