Open AccessТеоретическое моделирование термоэлектрических свойств сплавов Гейслера Fe-=SUB=-2-=/SUB=-Ti-=SUB=-1-x-=/SUB=-V-=SUB=-x-=/SUB=-Sn
Author(s) -
Е.Ж. Ашим,
Talgat M. Inerbaev,
A. Аkilbekov,
Hiroyuki Miki,
T. Takagi,
В. В. Ховайло
Publication year - 2019
Publication title -
fizika i tehnika poluprovodnikov
Language(s) - English
Resource type - Journals
eISSN - 1726-7315
pISSN - 0015-3222
DOI - 10.21883/ftp.2019.07.47860.40
Subject(s) - seebeck coefficient , materials science , randomness , condensed matter physics , thermoelectric effect , electronic band structure , electronic structure , crystal structure , band gap , distribution (mathematics) , crystallography , thermodynamics , chemistry , physics , mathematics , statistics , mathematical analysis
This paper presents theoretical calculations of electronic structure and Seebeck coefficient in Fe2Ti1-xVxSn alloys for the cases fully ordered L21 and partially disordered B2 Heusler crystal structure. It is shown that the band gap increases with the Ti by V substitution. Comparison with the available theoretical and experimental data indicates that taking into account the randomness in the distribution of atoms makes it possible to obtain more comparable to the experimental data values of the Seebeck coefficient