On the fully compensated ferrimagnetism in Mn2V1-xCoxAl (x=0, 0.25, 0.5, 0.75, 1) Heusler alloys: An ab initio and neutron diffraction study
Ab initio calculations; Fully compensated ferrimagnets; Heusler alloys; Neutron diffraction studies
We present a detailed ab initio investigation on the interesting Heusler alloys Mn2V1-xCoxAl (x=0,0.25,0.5,0.75,1), which exhibit fully compensated ferrimagnetism with high Curie temperature for x = 0.5. Calculations were performed by incorporating various atomic anti-site disorders, and the minimum energy structure causing the fully compensated ferrimagnetic state with high Curie temperature in Mn2V0.5Co0.5Al was identified to be L 21 with Mn-Co disorder. This L 21 phase, along with the ferrimagnetic interaction among the parallelly coupled (Mn(A)-Mn(C)) and (V-Co) pairs, gives rise to the fully compensated ferrimagnetism in the half-metallic Mn2V0.5Co0.5Al Heusler alloy. Increasing Co concentration in Mn?VAl induces a change in structure from the L 2? phase to the X ? phase. The peculiar spin gapless semiconducting behavior of Mn2CoAl was evident from the ab initio results. Ab initio results have explained the previously reported anomalies in the electrical resistivity of Mn2V1-xCoxAl. Neutron diffraction analysis has confirmed, for the first time, that Mn2V0.5Co0.5Al has a disordered L 2? structure, which agrees with the ab initio results. 2025 Elsevier B.V.
Midhunlal, P.V.; Chelvane, J. Arout; Venkatesh, C.; Babu, P.D.; Kumar, N. Harish
Journal of Magnetism and Magnetic Materials;Volume;638;Issue;;Article No.;173715;
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https://doi.org/10.1016/j.jmmm.2025.173715 https://www.scopus.com/pages/publications/105023195684?origin=resultslist
Midhunlal P.V., Department of Sciences and Humanities, School of Engineering and Technology, Christ University, Karnataka, Bangalore, 560074, India; Chelvane J.A., Defence Metallurgical Research Laboratory, Kanchanbagh (PO), Hyderabad, 500058, India; Venkatesh C., Department of Physics, Indian Institute of Science, Karnataka, Bengaluru, 560012, India; Babu P.D., UGC-DAE Consortium for Scientific Research, Mumbai Center, 246-C, CFB, BARC Campus, Trombay, Mumbai, 400085, India; Kumar N.H., Department of Physics, Indian Institute of Technology Madras, Chennai, 600036, India