Magnetism of 3d transition metal atoms on W(001): submonolayer films

Details Magnetism of 3d transition metal atoms on W(001): submonolayer films Magnetism of 3d transition metal atoms on W(001): submonolayer films

2006-12-07

arxiv.org/abs/cond-mat/0612190v1

Journal of Physics: Conference Series 61 (2007) 894-898

Physics

Condensed Matter

Materials Science

5 pages, 3 figures in 6 files; presented at ICN&T 2006, Basel, Switzerland

Scientific paper

10.1088/1742-6596/61/1/178

We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of the films. We have estimated local magnetic moments and the stability of different magnetic structures, namely the ferromagnetic order, the disordered local moments and the non-magnetic state, by comparing the total energies of the corresponding systems. It has been found that the magnetic moments of V and Cr decrease and eventually disappear with decreasing coverage. On the other hand, Fe retains approximately the same magnetic moment throughout the whole concentration range from a single impurity to the monolayer coverage. Mn is an intermediate case between Cr and Fe since it is non-magnetic at very low coverages and ferromagnetic otherwise.

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