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MA: Fachverband Magnetismus

MA 40: Poster II: Bio- and Molecular Magnetism (1-9); Magnetic Coupling Phenomena/Exchange Bias (10-15); Magnetic Particlicles and Clusters (16-29); Micro and Nanostructured Magnetic Materials (30-51); Multiferroics (52-64); Spin Injection in Heterostructures (65-67); Spin-Dyn./Spin-Torque (68-93); Spindependent Transport (94-108)

MA 40.4: Poster

Friday, March 27, 2009, 11:00–14:00, P1A

DFT studies of magnetic molecules — •Stefan Leiding and Juergen Schnack — Universität Bielefeld, Fakultät für Physik, Postfach 100131, D-33501 Bielefeld

The ability to tune the couplings between the spins of individual transition metal atoms by controlled attachment of molecular ligands is investigated with spin-dependent density functional theory. We use the SIESTA program to study the magnetic properties of molecules with single ion anisotropy. Vibrational spectra are evaluated as well.