Механізм утворення дефектів у термоелектричному матеріалі Zr1 – xVxNiSn

Crystal and electronic structure, transport and energy state characteristics of the Zr1−xVx NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determ...

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Збережено в:
Бібліографічні деталі
Дата:2021
Автори: Romaka, V.V., Stadnyk, Yu.V., Rogl, P.F., Romaka, L.P., Krayovskyy, V.Ya., Horpenyuk, A.Ya., Horyn, A.M.
Формат: Стаття
Мова:English
Опубліковано: Publishing house "Academperiodika" 2021
Теми:
Онлайн доступ:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2020043
Теги: Додати тег
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Назва журналу:Ukrainian Journal of Physics

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Ukrainian Journal of Physics
Опис
Резюме:Crystal and electronic structure, transport and energy state characteristics of the Zr1−xVx NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determines the electric conductivity of the material, is established. It is shown that energetically expedient is a simultaneous occupation of the 4c position of Ni (3d84s2) atoms by V (3d34s2) atoms, which generates structural defects of the acceptor nature and the impurity acceptor band Ꜫ1A, as well as the 4a position of Zr (4d25s2) atoms, generating structural defects of the donor nature and the impurity donor band Ꜫ2D.