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The isotropic magnetic moment of a free atom is shown to develop giant magnetic anisotropy energy due to symmetry reduction at an atomically ordered surface. Single cobalt atoms deposited onto platinum (111) are found to have a magnetic anisotropy energy of 9 millielectron volts per atom arising from the combination of unquenched orbital moments (1.1 Bohr(More)
Description: This book deals with functional materials that are in the frontiers of current materials science and technology research, development and manufacture. The first of its kind, it deals with three classes of materials, (1) magnetic semiconductors, (2) multiferroics, and (3) graphene. Because of the wide popularity of these materials there is a(More)
Starting from a tight binding formulation of the KKR (Korringa-Kohn-Rostocker) Green function method we developed a self consistent band structure code. By using a reference system containing repulsive muun tin potentials we obtain structure constants which decay exponentially with distance. In the case of multilayered systems the numerical eeort scales(More)
We describe exchange interactions in dilute magnetic semiconductors (DMS) based on ab-initio calculations. Electronic structure of DMS is calculated on the basis of the density functional theory by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA). We will show that there are two classes of DMS with very different properties. In(More)
Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentioned above. We(More)
Ab initio formulations of the interlayer exchange coupling (IEC) between two, in general non-collinearly aligned magnetic slabs embedded in a non-magnetic spacer are reviewed whereby both the spacer and the magnetic slabs as well as their interfaces may be either ideal or random. These formulations are based on the spin-polarized surface Green function(More)
Using the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this gap resulting in 100% spin polarization at the Fermi(More)
Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic and magnetic properties of both Heusler families: the so-called half-Heusler alloys like NiMnSb and the the(More)
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