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The Influence of Hydrogen Adsorption on Magnetic Properties of Ni/Cu(001) Surface
Authors:František Máca  Alexander B Shick  Josef Redinger  Raimund Podloucky  Peter Weinberger
Institution:(1) Acad. Sci. CR, Institute of Physics, Na Slovance 2, CZ-182 21 Praha 8, Czech Republic;(2) Center for Computational Materials Science, Technical University of Vienna, Getreidemark 9, A-1060 Vienna, Austria
Abstract:Ni/Cu(001) is known as a unique system showing the spin-reorientation transition from an in-plane to out-of-plane magnetization direction when the Ni-overlayer thickness is increased. We investigate different relaxed multilayer structures with a hydrogen adlayer using the full-potential linearized augmented plane-wave method. The relaxed geometries, determined by total energy and atomic force calculations, show that H-monolayer strongly influences the interlayer distance between the Ni-surface and sub-surface layers yielding the outward relaxation of Ni-layer at H/Ni interface. Furthermore, large decrease of local magnetic moments at the top surface area is found for the surface covered by H. The magneto-crystalline anisotropy energies are calculated for fully relaxed H/Ni-films. The spin-reorientation transition critical thickness of 4 ML is found in good quantitative agreement with the experiment.
Keywords:surface magnetism  thin films  magnetic anisotropy
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