Жарияланымдар / Публикации
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- Некоторые метрики заблокированы вашиминастройками согласия
Тип записи:Публикация, ЭЛЕКТРОННАЯ СТРУКТУРА, МАГНИТНЫЕ СВОЙСТВА И СТАБИЛЬНОСТЬ СПЛАВОВ ГЕЙСЛЕРА Mn 2 Co 1−x V x Z (Z = Al, Ga)(2021-03-18); Н. А. МерәлTwo sets of Heusler alloys of the type Mn 2 Co 1−x V x Z (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. - Некоторые метрики заблокированы вашиминастройками согласия
Тип записи:Публикация, Моделирование как метод научного познания физико-химических процессов(L. N. Gumilyov Eurasian National University, 2022-07-05)