11. Magnetic interactions and finite temperature properties
Density-functional studies of magnetism and of magnetic materials are one of the most important research activities of the CMS, extending from the development of the basic methodology to the investigations of the magneto-transport and magneto-optical properties in nanostructured magnets. The challenge to theory is evidently to provide a better understanding of the interplay between atomic structure and magnetic properties. The investigations of the Mohn group are based on a multiplicity of research tools: TB-LMTO (Tight-binding linear muffin-tin orbital), LAPW (Linear Augmented Plane Wave), ASW (Augmented Spherical Wave) are used to investigate bulk magnetic materials, ranging from Invar alloys over spin-glasses to magnetic semiconductors. Calculations using the spinpolarized version of VASP are used to explore complex magnetic states such as non collinear and helical magnets and the relationship between the geometric and the magnetic structures of nanostructured magnets. KKR-based Green-function techniques are being developed for the calculation of transport-properties, or magneto-optic properties and for the investigation of the magnetism of disordered alloys in a disordered local moment-mode. Immediate cooperations are to be expected with the Blaha, Redinger, Held and Kozeschnik groups.