Publications in Scientific Journals:

A. Buruzs, P. Weinberger, L. Szunyogh, L. Udvardi, P. Chleboun, A. Fischer, J.B. Staunton:
"Ab initio theory of temperature dependence of magnetic anisotropy in layered systems: Applications to thin Co films on Cu(100)";
Physical Review B, 76 (2007), 0644171 - 0644177.

English abstract:
In this paper we present an extension of the relativistic disordered local moments !RDLM" scheme to
layered systems in order to perform ab initio calculations of the temperature-dependent magnetic anisotropy
energy of magnetic surfaces, interfaces, or films. As implemented within the relativistic spin-polarized
screened Korringa-Kohn-Rostoker method, we apply this scheme to thin Co n /Cu(100) films and observe a
temperature dependence of the magnetic anisotropy energy (MAE) that significantly differs from that of the
bulk systems studied so far. In addition to the overall agreement of our results with experiments in showing an
in-plane magnetization for almost all layer thicknesses and temperatures under consideration, our calculations
also systematically predict a temperature-induced reverse (in-plane to out-of-plane) spin reorientation. In order
to explain this unexpected feature we fit the parameters of a classical Heisenberg model solved within the
mean-field approach to the MAE obtained from the RDLM calculations, and conclude that the spin reorientation
is driven by a competition of exchange and single-site anisotropies.\

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