Berlin 2008 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 14: Magnetic Half Metals and Oxides
MA 14.1: Vortrag
Dienstag, 26. Februar 2008, 10:30–10:45, EB 202
Onset of magnetic order in 3d transition metal oxides — •Guntram Fischer1, Ian Hughes2, Markus Däne3, Arthur Ernst3, Wolfram Hergert1, Julie B. Staunton2, Martin Lüders4, Zdzislawa Szotek4, and Walter Temmerman4 — 1Institute of Physics, MLU Halle-Wittenberg, Von-Seckendorff-Platz 1, 06120 Halle — 2Department of Physics, University of Warwick, Coventry, CV4 7AL, UK — 3Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle — 4Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, UK
The finite temperature magnetic properties of 3d transition metal oxides (TMO) will be discussed based on ab initio methods. Self-interaction corrections are taken into account in a local implementation (LSIC) within the KKR multiple-scattering theory.[1] The calculation of exchange parameters by means of the magnetic force theorem [2] allows us to calculate the Neel temperatures via Mean Field Approximation, Random Phase Approximation and Monte Carlo simulations. The use of LSIC-KKR in combination with the disordered local moment (DLM) method [3] opens up the alternative to calculate the transition temperatures without any mapping to a Heisenberg model.The results of the different approaches will be compared and discussed. The dependence of the transition temperatures on the lattice constant and the magnon spectra of the TMO will be discussed as well. - [1] M. Lüders et al. Phys. Rev. B, 71, 205109 (2005), [2] A.A. Liechtenstein et al. JMMM, 67, 65 (1987), [3] Gyorffy et al., J. Phys. F: Met. Phys. 15, 1337 (1985)