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Home > Issues > Volume 1 (1996) > No.1(pp.1-54)
Surface Relaxation Effect on the Magnetism of Fe Overlayer on Cr (001)
Journal of Magnetics, Volume 1, Number 1, 30 Jun 1996, Pages 9-13
Abstract
The effects of surface relaxation on surface and interface magnetism in Fe/Cr (001) are investigated using the highly precise all-electron total-energy full-potential linearized augmented plane wave method. The Fe-Cr interlayer spacing is deter-mined by total-energy calculation and it is found to be relaxed downward by 18%. For the relaxed system, the magnetic moment of surface Fe is highly suppressed to be 1.72μΒ compared to the unrelaxed case (2.39μΒ). This reduction of magnetic moment is considered as a result of the enhanced hybridization between Fe-d and Cr-d states, which can be seen from the calculated density of states. This work suggests the importance of effect of relaxation to the surface and interface magnetism in Fe/Cr system.
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