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Mn-Ni based full-Heusler alloys belong to novel half-metallic compounds with a promising set of physical properties for applications as functional materials. Based on first principles calculations, the electronic structures, the magnetic and mechanical properties of Ni 2 Mn(Ge,Sn) and Mn 2 NiGe full-Heusler alloys have been investigated in detail. The results revealed that the Mn 2 NiGe with Hg 2 CuTi type structure is more stable; on the other hand, for Ni 2 Mn(Ge,Sn), the Cu 2 MnAl type structure is more stable. The Mn 2 NiGe alloys are found to be half-metallic with an integer value of total magnetic moment of 4 μ B  which makes them interesting materials in the field of spintronics. The Ni 2 Mn(Ge,Sn) alloys exhibit metallic character in both Hg 2 CuTi and Cu 2 MnAl type structures. The calculated  B / G  ratios for all the considered compounds Ni 2 Mn(Ge,Sn) and Mn 2 NiGe are greater than 1.75; therefore, these alloys are ductile, and the calculated Cauchy’s pressure is positive, which also classified these compounds as ductile materials.

Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni 2 Mn(Ge,Sn) and Mn 2 NiGe