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ELECTRONIC STRUCTURE, MAGNETIC PROPERTIES AND STABILITY OF HEUSLER ALLOYS Mn2Co1−x VxZ (Z = Al, Ga)
Автор(ы)
Fatima U. Abuova
Талгат Муратович Инербаев
Aisulu U. Abuova
N. A. Merali
Nurgul S. Soltanbek
Дата публикации
30 декабря 2020 г.
Тип
journal article
Журнал
Выпуск
4
Первая страница
24
Последняя страница
28
ISSN
1729-7516
Аннотация
Two sets of Heusler alloys of the type Mn2Co1−xVxZ (Z = Al, Ga) were studied by computer simulation methods using density functional theory. Changes in the absolute value and direction of the lattice ions' magnetic moments are investigated depending on the chemical composition. Topological analysis of the charge distribution on the crystal lattice atoms is carried out to explain the results obtained. It is shown that changes in the magnetic properties are determined by the system's charge ions' states. The fundamental difference between Al- and Ga-containing alloys is Ga ions' ability, in contrast to Al ions, to change their charge state as the vanadium concentration increases, which gives an additional degree of freedom for modifying the electronic structure of the studied compounds.
Области науки (FoS)