Abstract
In this work the results of studying the electrical transport properties of Fe2V1 –xNbxAl1 –yGay (0.1 ≤ x ≤ 0.2 and 0.1 ≤ y ≤ 0.2) are presented. The specimens were fabricated using conventional arc-melting method followed by ball milling and spark plasma sintering. It was shown that dual-site substitution approach may lead to a more noticeable changes in the Seebeck coefficient and the electrical resistivity comparing to single-site substitution. Since such substitution can be assumed as isovalent one, the evolution of the electrical transport properties was mainly attributed to the changes in the band gap and charge carrier mobility values. To testify applicability of computational methods on these samples we have used well-known density functional theory and Boltzmann transport equation solving on one of the samples.
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ACKNOWLEDGMENTS
This study was supported by Russian Foundation for Basic Research (project no. 18-38-20170). Theoretical calculations were partially performed at supercomputer cluster “Cherry” provided by the Materials Modeling and Development Laboratory of NUST “MISIS” (supported by a grant from the Ministry of Education and Science of the Russian Federation, no. 14.Y26.31.0005). The work of T.I. is performed under the state assignment of IGM SB RAS.
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Voronin, A.I., Serhiienko, I.A., Ashim, Y.Z. et al. Electrical Transport Properties of Nb and Ga Double Substituted Fe2VAl Heusler Compounds. Semiconductors 53, 1856–1859 (2019). https://doi.org/10.1134/S1063782619130207
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DOI: https://doi.org/10.1134/S1063782619130207