Regensburg 2007 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 13: Spinstructures and magnetic Phase Transitions
MA 13.3: Vortrag
Dienstag, 27. März 2007, 10:45–11:00, H5
Magnetic Ordering in Strongly-Correlated Systems from ab initio — •Markus Däne1, Ian Hughes2, Arthur Ernst3, Wolfram Hergert1, Julie Staunton2, Axel Svane4, Julian Poulter5, Martin Lüders6, Zdzislawa Szotek6, and Walter Temmerman6 — 1Naturwissenschaftliche Fakultät II, Institut für Physik, Martin Luther Universität Halle-Wittenberg, Friedemann-Bach-Platz 6, 06108 Halle, Germany — 2Department of Physics, University of Warwick, U.K. — 3Max Planck Institute of Microstructure Physics, 06120 Halle, Germany — 4Institute of Physics and Astronomy, University of Aarhus, Denmark — 5Mahidol University, Bangkok, Thailand — 6Daresbury Laboratory, Daresbury, Warrington WA4 4AD, U.K.
We use a first-principles theory of finite temperature metallic magnetism to investigate the onset of magnetic order in strongly-correlated systems. Thermally induced spin fluctuations are treated within a mean-field disordered local moment (DLM) picture. The scheme is implemented using the Korringa-Kohn-Rostoker (KKR) method, with a self-interaction corrected local spin-density approximation. This is applied to Ce, Gd and transition metal oxides.