Half-metallic state and magnetic properties versus the lattice constant in Zr2RhZ (Z = Al, Ga, In) Heusler alloys

Abstract: The half metallic and magnetic properties of Zr2RhZ (Z = Al, Ga, In) alloys with an Hg2CuTi-type structure were systematically investigated using the first-principle calculations. Zr2RhZ (Z = Al, Ga, In) alloys are predicted to be half-metallic ferrimagnets at their equilibrium lattice constants. The Zr2Rh-based alloys have Mt (the total magnetic moment per unit cell) and Zt (the valence concentration) values that in agreement with Slater-Pauling rule Mt = Zt -18. The half-metallic properties and the magnetic properties at different lattice constants are discussed in detail. We expect that our results may trigger Zr2RhZ (Z = Al, Ga, In) applying in the future spintronics field.