Robust half-metallic properties in inverse Heusler alloys composed of 4d transition metal elements: Zr2RhZ (Z=Al, Ga, In)

A first-principles approach is used to study the electronic and magnetic properties of Zr2RhZ (Z=Al, Ga, In) alloys in the Hg2CuTi-type structure. The Zr2RhZ (Z=Al, Ga, In) alloys are found to be half-metallic ferrimagnets. The half-metallicity is quite robust against hydrostatic strain and tetragonal deformation in Zr2RhZ (Z=Al, Ga, In) alloys. The magnetization of Zr2RhZ (Z=Al, Ga, In) alloys mainly originates from the 4d electrons of Zr atoms and follows the rule: Mt=Zt−18. Zr2Rh-based alloys do not contain any 3d transition metal element, which implies a wider field to search for new half-metallic materials.