Publications in Scientific Journals:

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.

English abstract:
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

Online library catalogue of the TU Vienna:

Created from the Publication Database of the Vienna University of Technology.