The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the
electronic structure of a system directly and efficiently in terms of its single-particle Green's …

Thin films and quasi-two-dimensional systems show a wide range of ordering effects and
related pattern-formation phenomena. The origins of these phenomena can often be traced …

Symmetry breaking and bonding at interfaces leads to a variety of anisotropy phenomena in
transition metal sandwiches and multilayers. The charge density, the spin density and the …

Magnetic atoms coupled to the Cooper pairs of a superconductor induce Yu-Shiba-Rusinov
states (in short Shiba states). In the presence of sufficiently strong spin-orbit coupling, the …

We review some recent conceptual improvements of the Korringa–Kohn–Rostoker (KKR)
Green function method for electronic structure calculations. After an introduction into the …

In order to study spin-wave excitations of itinerant ferromagnets a relativistic first-principles
method based on the adiabatic approach is presented. The derivatives of the free energy up …

First-principles electronic structure studies based on local spin density functional theory and
performed on extremely complex simulations of ever increasingly realistic systems, play a …

Within the framework of the generalized multiple-scattering theory, a conceptually clear and
transparent derivation of the real-space screened Korringa-Kohn-Rostoker method is …

Nanostructured magnetic materials are intensively investigated due to their unusual
properties and promise for possible applications. The key issue for these materials is to …

We present first-principles calculations of the magnetic moments and magnetic anisotropy
energies of small Fe, Co, and Ni clusters on top of a Ag (100) surface as well as the …