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,
56
(2006),
51
- 59.
English abstract:
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.