First-Principles Investigation of Elastic, Electronic, and Half-Metallic Ferrimagnetic Properties in the Mn2RhSi Heusler Alloy

The structural, elastic, electronic and magnetic properties of the Mn 2 RhSi Mn 2 -based Heusler alloy were investigated by using first-principles calculations of the full-potential linearized augmented plane wave (FP-LAPW) method. The results of electronic structures show that the Mn 2 RhSi exhibits a half-metallic character for a wide range 5.65 to 5.91 Å of lattice constant. The half-metallic behavior is confirmed by the integral value of 3 μ B of the total magnetic moment for Mn 2 RhSi, which follow the Slater-Pauling rule.