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


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Resumo

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.

Sobre autores

Ye. Ashim

National University of Science and Technology “MISiS”

Autor responsável pela correspondência
Email: ye.ashim.misis@gmail.com
Rússia, Moscow, 119049

T. Inerbaev

Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences; Gumilyov Eurasian National University

Email: ye.ashim.misis@gmail.com
Rússia, Novosibirsk, 630090; Astana, 010000

A. Akilbekov

Gumilyov Eurasian National University

Email: ye.ashim.misis@gmail.com
Cazaquistão, Astana, 010000

H. Miki

Frontier Research Institute for Interdisciplinary Science, Tohoku University

Email: ye.ashim.misis@gmail.com
Japão, Sendai, 980-8578

T. Takagi

Institute for Fluid Sciences, Tohoku University

Email: ye.ashim.misis@gmail.com
Japão, Sendai, 980-8577

V. Khovaylo

National University of Science and Technology “MISiS”

Email: ye.ashim.misis@gmail.com
Rússia, Moscow, 119049


Declaração de direitos autorais © Pleiades Publishing, Ltd., 2019

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