Magnetic properties of X 0.5 Mn 0.5 /Cu(001) overlayers, X=Fe, Mn, and Ir: ab-initio calculations

B. A. Hamad () and J. Kortus

The European Physical Journal B: Condensed Matter and Complex Systems, 2010, vol. 76, issue 3, 373-378

Abstract: We investigated by theoretical means the magnetic structure and the magnetocrystalline anisotropy of X 0.5 Mn 0.5 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 X 0.5 Mn 0.5 /Cu(001) structures exhibited different magnetic configurations, frustrated antiferromagnetic (AF) ones in case of the Fe 0.5 Mn 0.5 overlayer, which is an indication of the appearance of noncollinear magnetism. Interestingly, in case of the Co 0.5 Mn 0.5 system we found a ferromagnetic ordering and an AF ground state in the case of the Ir 0.5 Mn 0.5 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 X 0.5 Mn 0.5 bulk (overlayer) systems. The out-of-plane easy axis in Fe 0.5 Mn 0.5 and Ir 0.5 Mn 0.5 overlayer systems may be promising for potential perpendicular recording applications. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2010

Date: 2010
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DOI: 10.1140/epjb/e2010-00237-8

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