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.
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Máca, F., Shick, A.B., Redinger, J. et al. The Influence of Hydrogen Adsorption on Magnetic Properties of Ni/Cu(001) Surface. Czechoslovak Journal of Physics 53, 33–39 (2003). https://doi.org/10.1023/A:1022399419251
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DOI: https://doi.org/10.1023/A:1022399419251