Unveiling the functional potential of Cr2MnAl Heusler alloy: A combined experimental and theoretical approach

초록

In this study, a Cr2MnAl Heusler alloy was successfully synthesized via a solid-state method, and its structure was analyzed using X-ray diffraction, confirming the formation of the XA crystal structure without any secondary phases. X-ray photoelectron spectroscopy (XPS) confirmed the oxidation states of Cr, Mn, and Al, and morphological analysis revealed well-defined grain sizes. Magnetic measurements indicated paramagnetic behavior at room temperature, which transitioned to ferrimagnetic behavior at lower temperatures. Furthermore, the alloy exhibits semiconductor-like behavior, as confirmed by resistivity measurements. Hall Effect studies have highlighted the enhanced behavior attributed to the strong interfacial spin-orbit coupling at low temperatures. In addition, first-principles calculations based on density functional theory were performed, revealing intriguing phenomena, with the XA material displaying ferrimagnetic behavior characterized by negative spin polarization, in contrast to the antiferromagnetic tendencies observed in the L21 structure. The efficient dielectric function and absorption characteristics of these compounds suggest that they can also be employed in electromagnetic radiation-assisted energy and sensing applications. Annealing dynamic simulations revealed the thermal stability of the fabricated compounds at temperatures of up to 1000 K. We believe that our results could be useful for the development of spintronic devices, solar cells and photovoltaic cells.

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