Тип публикации: статья из журнала
Год издания: 2024
Идентификатор DOI: 10.1016/j.jmmm.2024.172193
Ключевые слова: MAX phases First-principle calculations Doping Magnetic properties Ferromagnetism Exchange constants
Аннотация: The magnetic properties of ordered MAX phases Mn2(AlxGa1−x)C (x = 0.125, 0.25, 0.5, 0.75 and 0.875) have been studied within the DFT-GGA. We have found that increase of Al atom at A-site leads to the formation of the ferromagnetic phase with large magnetization of about 3.6 μB/f.u. The investigation of the phase stability is perforПоказать полностьюmed by comparing the total energy of the MAX phases with that of a set of competitive phases for calculation of the phase formation enthalpy. Up to a concentration of Al atoms x = 0.7 the compound remains thermodynamically stable. The exchange constants analysis shows the crucial role of exchange interactions between manganese atoms along the c-axis in forming of ferromagnetism. The magnetic transition temperature of Mn2(AlxGa1−x)C alloys increases with increase of the aluminum concentration.
Журнал: Journal of Magnetism and Magnetic Materials
Выпуск журнала: Т. 601
Номера страниц: 172193
ISSN журнала: 03048853
Издатель: Elsevier Science Publishing Company, Inc.