Publications in Scientific Journals:
F. Maca, A.B. Shick, J. Redinger, P.M. Oppeneer:
"Structural relaxation and magnetic anisotropy: Co wire at the Pt(111) step edge";
Czechoslovak Journal of Physics,
First principles calculations are used to investigate a monatomic Co chain at the
Pt(111) surface step edge.We optimize the system geometry minimizing the atomic forces
and evaluate the magnetocrystalline anisotropy energy (MAE).Th e easy magnetization
axis is found to align perpendicular to the Co-wire at an angle of approx. 50 degrees (A-step) and
approx. 30 degrees (B-step) towards the Pt step and the calculated MAE of 2.8meV (A-step) and
4.45 meV (B-step) are in good agreement with experiment. Our calculations show that
the structural relaxation improves the quantitative description of the MAE.
Created from the Publication Database of the Vienna University of Technology.