The arising of ferromagnetism in Al-doped Mn2(Ga1−xAlx)C MAX phases
Source abstract
Abstract
The magnetic properties of ordered MAX phases Mn 2(Al xGa 1−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 μ B/f.u. The investigation of the phase stability is performed 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 Mn 2(Al xGa 1−x )C alloys increases with increase of the aluminum concentration.
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Research context
OpenAlex topics: MXene and MAX Phase Materials · Boron and Carbon Nanomaterials Research · Metal and Thin Film Mechanics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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