Theoretical investigation of electronic structures, elastic, and magnetic properties of Rh2CrGe full-Heusler alloy

Abstract

In this paper, we have investigated the structural, elastic, electronic, and magnetic properties of Rh2CrGe full-Heusler alloy in the regular type (Cu2MnAl, prototype L21) phase by using the first-principle methods of density functional theory with local spin-density approximation. We have found that Rh2CrGe is stable in the ferromagnetic configuration. This result is confirmed by the calculated cohesive energies. The stability criteria show that Rh2CrGe is mechanically stable in L21 structure. The spin-polarized electronic structures depicted a metallic character. The calculated total magnetic moment of 3.78 µB is not in agreement to the value of 4 µB of the Slater–Pauling rule. Therefore the Rh2CrGe full-Heusler alloy is metallic ferromagnet in nature.