Regensburg 2002 – scientific programme
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MA: Magnetismus
MA 22: Magnetische Anisotropie
MA 22.4: Talk
Friday, March 15, 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).