Investigation of structural stability, elastic properties, electronic structure and ferrimagnetic behavior of Mn2RhGe full-Heusler alloy

The first-principle calculations of density functional theory have been used to study the structural, elastic, electronic and magnetic properties of Mn2RhGe full-Heusler alloy. The present study reveals that the Mn2RhGe is stable in Xa-type structure and exhibits a half-metallic ferrimagnetic feature at equilibrium lattice constant. In the Mn2RhGe, the ferrimagnetic behavior results from antiparallel coupling between Mn (1) and Mn (2) spin moments. The total magnetic moment of Mn2RhGe is 3μB, which obeys to the Slater-Pauling rule. The Mn2RhGe keeps the half-metallic character for the lattice parameters (a) in the range of 5.73–5.95 Å, but at a = 6.05 Å this behavior destroyed and the compound becomes metallic in nature. Therefore, the Mn2RhGe is predicted to be better candidate to explore ferrimagnetic property for possible spintronics applications. •The Mn2RhGe reveals a half-metallic ferrimagnetic behavior.•The Mn2RhGe keeps the half-metallicity for lattice constant of 5.73–5.95 Å.•The total magnetic moment of Mn2RhGe follows the Slater-Pauling rule.•The Mn2RhGe is predicted to be promising material for spintronics applications.