Abstract
A Mn-based Heusler alloy Mn2NiSb has been synthesized. First-principles calculations and experimental measurements were employed to investigate its electronic structure and magnetism. Theoretical calculation indicates a ferromagnetic coupling in Mn2NiSb and a total spin moment of 4.21μB/f.u., which agrees quite well with the saturation moment at 5 K. This ferromagnetic coupling arises from the larger lattice constant and more valence electrons compared with other Mn-based Heusler alloys. The partial spin moments for Mn (A), Mn (B), and Ni are 0.6, 3.30, and 0.3μB, respectively. The Curie temperature of Mn2NiSb is 647 K, indicating a strong exchange interaction between Mn atoms.
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