Regensburg 2002 – wissenschaftliches Programm

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MA: Magnetismus

MA 22: Magnetische Anisotropie

MA 22.4: Vortrag

Freitag, 15. März 2002, 12:45–13:00, H22

Dependence of Magnetic Anisotropy of Cu(100)/Ni on Hydrogenadsorption — •Robert Hammerling, Peter Weinberger, and Laszlo Szunyogh — Center of Computational Materials Science, Gumpendorferstr. 1A, A-1060 Vienna, Austria

In recent experiments [Vollmer et.al. PRB 60, 9, p6277] it was found that hydrogen adsorption of around 0.5 ML reduces the critical thickness for the spin reorientation in Cu(100)/NiN/Hx from 10.5 ML of Nickel to about 7 ML. We calculate the electronic and magnetic properties of
Cu(100)/NiN/Hx for N ∈ {7,8,…, 11} and x∈ {0.0,0.1,…, 1.0} for various relaxation profiles. In agreement with the experiment the Hydrogen adsportion sites were taken as the fourfold hollow sites.
This system is investigated using the fully relativistic spin polarised SKKR method (with a semiinfinite Cu bulk) and 2D-Kambe structure constants within the LDA of DFT. The submonolayer coverages are treated with CPA between H sites and Vacuum sites.
For the layer resolved magnetic moments we find a decreased magnetic moment of the last Ni layer for the Hydrogen covered system. The magnetic anisotropy energy and the critical thickness of the spin transition as a function of the Hydrogen adsorption rate is discussed.

This work was supported by
Austrian Science Foundation (Contract No. W004).

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