Structural, electronic and magnetic properties of Fe3−xMnxZ (Z=Al, Ge, Sb) Heusler alloys

► Half-metallic Heusler alloys are intermetallic materials that have promising applications in spintronic devices. ► Ab initio calculations show that the change of Mn concentration in Fe3−xMnxZ (Z=Al, Ge, Sb) alloys affects their half-metallicity as well as their electronic and magnetic structures. ► However, metalloid, Z atoms are not responsible for the origin of the band gap.