A deep-rooted understanding of the mechanisms at atomistic level lends further support to the rapid development in ultrahigh density magnetic recording, magnetic sensor technology or even medical applications of magnetic nanoparticles. Short-range order (SRO) magnetic correlations seem to play an important role in local magnetic formation in Ni, while the ordering of different chemical elements in alloys on a short-range can also remarkably influence the magnetic interactions in magnetic alloys. First principles based theoretical methods are highly useful to study such phenomena. In the proposed work we intend to apply the Embedded Cluster Green's Function method within the Korringa-Kohn-Rostoker formalism to investigate the formation of local magnetic moments and the interactions between them in small ordered clusters embedded in disordered magnetically and/or chemically disordered system. The latter ones are described in terms of the Coherent Potential Approximation (CPA) and the Relativistic Disordered Local Moment (RDLM) scheme, also available in the program package developed at the Department of Theoretical Physics BME. In particular, we aim to study the magnetism of Ni and of the FeCo alloy, as well as some of disordered Heusler-compounds. Beyond the bulk state, we will extend our studies to surfaces and in multilayer systems that might display new features related to SRO due to their reduced dimensionality.
good knowledge in quantum mechanics, solid state physics and statistical physics, motivation for theoretical and computational research