Structural and magnetic properties of fcc Pt/Fe(111) multilayers

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Abstract
The structural, electronic, and magnetic properties of the 2Pt/5Fe/2Pt(111) system were investigated using the total energy full‐potential linearized augmented‐plane‐wave method. The interplanar relaxation, determined by the atomic force approach, was found to be large between the nearest Pt–Fe and Fe–Fe distances, thus altering the electronic and magnetic properties of the system. We find an enhancement of the spin and orbital Fe magnetic moment (2.44 μB) at the interface, and a large induced magnetic moment (0.27 μB) at the interfacial Pt site, which is relatively short ranged. The effects of the interface on the contact hyperfine fields is evaluated: The (negative) core‐polarization contribution is found to scale with the moment, but the valence contribution changes from negative in the interior to positive at the interface. The trend of the calculated layer‐by‐layer hyperfine fields agrees well with experiment.