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We present results of systematic fully relativistic first-principlescalculations of the uniaxial magnetic anisotropy energy (MAE) of a disorderedand partially ordered tetragonal Fe-Co alloy using the coherent potentialapproximation (CPA). This alloy has recently become a promising system for thinferromagnetic films with a perpendicular magnetic anisotropy. We find thatexisting theoretical approaches to homogeneous random bulk Fe-Co alloys, basedon a simple virtual crystal approximation (VCA), overestimate the maximum MAEvalues obtained in the CPA by a factor of four. This pronounced difference isascribed to the strong disorder in the minority spin channel of real alloys,which is neglected in the VCA and which leads to a broadening of the d-likeeigenstates at the Fermi energy and to the reduction of the MAE. The orderedFe-Co alloys with a maximum L1_0-like atomic long-range order can exhibit highvalues of the MAE, which, however, get dramatically reduced by smallperturbations of the perfect order.

Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from ab initio alloy theory