Strong perpendicular magnetocrystalline anisotropy of bulk and the (001) surface of DO22Mn3Ga: a density functional study.

Strong perpendicular magnetocrystalline anisotropy (MCA) and low saturation magnetization are found in DO22Mn(3)Ga using the full-potential linearized augmented plane wave (FLAPW) method. The ferrimagnetism in the bulk is well preserved in the surfaces of Mn(3)Ga for two possible terminations, where the perpendicular MCA in the (001) direction is greatly enhanced over the bulk, consistent with experiments. Furthermore, the robustness of MCA with respect to lattice strain and a good lattice match with popular substrates suggest that Mn(3)Ga can be a good candidate for strain-resistance spintronics applications.