Theoretical Modeling of the Thermoelectric Properties of Fe2Ti1 – xVxSn Heusler Alloys

Ye Zh Ashim, T. M. Inerbaev, A. T. Akilbekov, H. Miki, T. Takagi, V. V. Khovaylo

Research output: Contribution to journalArticle

Abstract

Abstract: Theoretical calculations of the electron structure and Seebeck coefficient in Fe2Ti1 – xVxSn alloys for the cases of a fully ordered L21 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.

Original languageEnglish
Pages (from-to)865-868
Number of pages4
JournalSemiconductors
Volume53
Issue number7
DOIs
Publication statusPublished - 2019 Jul 1

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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