B. Újfalussy, B. Lazarovits, L. Szunyogh, G.M. Stocks, P. Weinberger:

"Ab initio spin dynamics applied to nanoparticles: Canted magnetism of a finite Co chain along aPt.111. surface step edge";

Physical Review B,70(2004), 100404-1 - 100404-4.

In order to search for the magnetic ground state of surface nanostructures we extended first principles

adiabatic spin dynamics to the case of fully relativistic electron scattering. Our method relies on a constrained

density functional theory whereby the evolution of the orientations of the spin-moments results from a semiclassical

Landau-Lifshitz equation. This approach is applied to a study of the ground state of a finite Co chain

placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned we obtain

excellent agreement with the experiment. Furthermore we observe noncollinearity of the atom-resolved spin

and orbital moments. In terms of magnetic force theorem calculations we also demonstrate how a reduction of

symmetry leads to the existence of canted magnetic states.

DOI: 10.1103/PhysRevB.70.100404 PACS number(s): 75.75.1a, 75.10.Lp, 75.30.Gw

http://aleph.ub.tuwien.ac.at/F?base=tuw01&func=find-c&ccl_term=AC04970114

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