摘要：Stacking a magnetic memory junction in spintronic devices necessarily involves making contacts with a transitional-metal capping electrode. Herein, by means of first-principles calculations, we reveal the importance of heavy transition-metal capping on magnetic-phase transition from antiferromagnetic (AFM) to ferromagnetic (FM) order and the large perpendicular magnetic anisotropy (PMA) found in Ta-capped FeRh films on MgO substrate. While magnetization of FeRh films reorients from in-plane to PMA when in contact with MgO, the presence of Ta capping further enhances the magnitude of the PMA energy by at least five times. This large PMA is associated with the AFM-FM transition at the interface, which in turn modifies the out-of-plane Fe 3d orbital states through the hybridization with the strong spin-orbit coupled Ta 5d orbitals. Furthermore, the magnetic-phase transition at the interface is the result of the mutual mechanisms of the capping-induced volume/tetragonal expansion in the interfacial FeRh layers and the competition between the direct and indirect exchange interactions. These findings suggest that Ta/FeRh/MgO multilayers may represent highly favourable memory materials with net interfacial ferromagnetism and large PMA in antiferromagnet spintronics.
