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,
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.