Regensburg 2013 – scientific programme
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MA: Fachverband Magnetismus
MA 14: Micromagetic Simulation and Electron Theory of Magnetism
MA 14.7: Talk
Tuesday, March 12, 2013, 11:00–11:15, H23
Magnetic systems at elevated temperatures by relativistic disordered local moments theory — •Danny Böttcher1,2 and Jürgen Henk2 — 1Max Planck Institute of Microstructure Physics, Halle, Germany — 2Martin Luther University Halle-Wittenberg, Halle, Germany
The mismatch of experimentally and theoretically observed, temperature-dependent magnetic properties, in particular the magnetic moment and the Curie temperature, requires improvements in first-principles calculations. The magnetism of ferromagnets at elevated temperatures is described within a relativistic disordered local moments theory. The fluctuation strength of the local magnetic moments at a given temperature is obtained from first-principles calculations, taking into account the temperature-dependent distribution function of the local moment directions and spin-orbit coupling. We introduce to the approach and apply it to bulk Fe, Co, and Ni. Agreement of the magnetization versus temperature dependence with our Monte-Carlo method is found in the entire temperature range of 0 < T < Tc.