In the present work an implementation of the relativistic disordered local moment scheme (DLM) within the Screened Korringa-Kohn-Rostoker (KKR) Green's function formalism is presented. This approach is applicable to describe the magnetic properties of ferromagnetic metals and alloy systems at finite temperature.
The screened KKR facilitates to treat half infinite systems, such as thin films.
As an application we present a method to calculate the temperature dependent magnetic anisotropy of magnetic thin films, and show an application to Co$_n$Cu(100) thin film structures. We interpret our ab initio results with the help of an anisotropic classical Heisenberg model.
To highlight the importance of a non-unitary Heisenberg exchange we investigate also the magnetic ordering of a Mn monolayer on W surface, and stress the relevance of the so-called Dzyaloshinskii-Moriya interactions.
In the third part of the thesis we apply the DLM formalism to calculate the magnetic part of the electric resistivities.
We implement the DLM using the Kubo-Greenwood equation within the KKR framework.
This work represents the very first ab initio approach in the literature of this field.
As an application we show the results for bulk Fe and Co.