Investigation of Structural, Elastic, Electronic, Magnetic and Thermoelectric Proprieties for MnRhZ (Z = Al, Si and Ge) Full-Heusler Alloys

In this study, we investigated the structural, elastic, electronic, magnetic and thermoelectric properties of MnRhZ (Z = Al, Si and Ge) full Heusler alloy via the full-potential linearized augmented plane wave (FP-LAPW) method. The calculated results reveal that the compound is more stable in the HgMnAl prototype into the ferromagnetic phase. The calculated elastic constants show that the compounds satisfy the criteria stability. Due to the strong correlation, we used also GGA-PBE to see the improvement of the electronic properties, the integer magnetic moment confirm the half-metallic behaviour of these compounds. Finally, the thermoelectric parameters are computed for 100 K–800 K temperature range to explore the potential of these compounds for applications in technological devices.