Abstract
We investigated by theoretical means the magnetic structure and the magnetocrystalline anisotropy of X0.5Mn0.5 bi-layer systems on Cu(001) surfaces and their corresponding ordered bulk alloys. The calculations were performed using density functional theory (DFT) as implemented in the Full-potential linearized augmented plane wave (FP-LAPW) method. The c (2×2) chemically ordered X0.5Mn0.5/Cu(001) structures exhibited different magnetic configurations, frustrated antiferromagnetic (AF) ones in case of the Fe0.5Mn0.5 overlayer, which is an indication of the appearance of noncollinear magnetism. Interestingly, in case of the Co0.5Mn0.5 system we found a ferromagnetic ordering and an AF ground state in the case of the Ir0.5Mn0.5 overlayer. The magnetocrystalline anisotropy energies (MAE) are found to be –0.08 (–2.5), 0.40 (0.68), and 6.90 (–0.82) meV/cell for X0.5Mn0.5 bulk (overlayer) systems. The out-of-plane easy axis in Fe0.5Mn0.5 and Ir0.5Mn0.5 overlayer systems may be promising for potential perpendicular recording applications.
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