IrCrMnZ (Z = Al, Ga, Si, Ge) Heusler alloys as electrode materials for MgO-based magnetic tunneling junctions: a first-principles study

We study IrCrMnZ (Z = Al, Ga, Si, Ge) systems using first-principles calculations from the perspective of their application as electrode materials of MgO-based magnetic tunnel junctions (MTJs). These materials have highly spin-polarized conduction electrons with a partially occupied Delta(1) band, which is important for coherent tunneling in a parallel magnetization configuration. The Curie temperatures of IrCrMnAl and IrCrMnGa are very high (above 1300 K), as predicted from mean-field-approximation. The stability of the ordered phase against various antisite disorders is investigated. We discuss here the effect of 'spin-orbit-coupling' on the electronic structure around the Fermi level. Further, we investigate the electronic structure of the IrCrMnZ/MgO heterojunction along the (001) direction. IrCrMnAl/MgO and IrCrMnGa/MgO maintain half-metallicity even at the MgO interface, with no interfacial states at/around the Fermi level in the minority-spin channel. Large majority-spin conductance of IrCrMnAl/MgO/IrCrMnAl and IrCrMnGa/MgO/IrCrMnGa is reported from the calculation of the ballistic spin-transport property for the parallel magnetization configuration. We propose IrCrMnAl/MgO/IrCrMnAl and IrCrMnGa/MgO/IrCrMnGa as promising MTJs with a weaker temperature dependence of tunneling magnetoresistance ratio, owing to their very high Curie temperatures.