Theoretical study of the physical properties of new quaternary Heusler alloys based on Cobalt

Full Heusler compounds are a promising material for the next generation of spintronic devices. Here, we present the first investigation of the structural, magnetic, electronic, and thermoelectrical properties of full Heusler compounds CoXZeGe (X = Rh, Ru). The investigation was performed by using both the Generalized Gradient Approximation (GGA) and the Modified Becke–Johnson (mBJ) approximation. Both compounds were crystallized in the Cu₂MnAl prototype and in the ferromagnetic phase. The calculated magnetic moment for CoRuZeGe and CoRhZeGe are 1 µ_B, and 2 µ_B, respectively. In addition, the band electronic and density of the states’ structures prove the half metallic behavior of these compounds with full spin polarization which makes them an excellent choice for the field of spintronics. Moreover, the thermoelectric properties such as the Seebeck coefficient (S), electronic thermal conductivity (κ_e/τ), power factor, and figure of merit (ZT) have been studied and discussed in detail. Consequently, the investigated compounds were identified as candidate materials for high technological applications.