Computational study of structural stability, elastic, electronic, magnetic and thermodynamic properties of the Rh2-based full-Heusler compounds: Rh2MnZ (Z = Sn, Pb, Tl) by FP-LAPW method

The structural, elastic, electronic and thermodynamic properties as well the magnetism of ternary full-Heusler alloys Rh2MnZ (X = Sn, Pb Tl) have been investigated by using full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) within generalized gradient approximation (GGA). AlCu2Mn-type structure is energetically more favorable than CuHg2Ti-type for all compounds studied here found to be are ferromagnetic. structures calculations exhibit a metallic character herein alloys. magnetic reveal that Mn atom responsible large moment. Moreover, mechanical behavior shows mechanically stable, ductile anisotopic in nature. elastic Rh2MnTl compound not yet established. obtained results various series compared with those experimentally theoretically.