Regensburg 2013 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 33: Magnetization Dynamics I of 3
MA 33.11: Vortrag
Donnerstag, 14. März 2013, 12:00–12:15, H22
Tight-binding spin dynamics and tight-binding Monte Carlo: a study on BCC iron — •Siebe Rossen1,2, Phivos Mavropoulos1, Timo Schena1, Stefan Blügel1, and Theo Rasing2 — 1Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany — 2Radboud Universiteit Nijmegen, Institute for Molecules and Materials, 6525AJ Nijmegen, The Netherlands
Recent laser pulse excitation experiments on metallic films [1] show remarkable magnetisation dynamics which call for a theoretical explanation on an atomistic scale. So far the computational approach to this problem has been primarily based on a Heisenberg Hamiltonian at best, the validity of which becomes questionable in strongly non-collinear magnetic states. Therefore, we developed a code based on a calculation of the time-dependent electronic structure within the tight-binding and adiabatic approximation, in which the torque acting on the individual moments can be obtained in any spin configuration outside equilibrium. Such a method, for which the underlying principles are given in [2], is not only powerful because of the accurate description of the dynamics of magnetic materials based on the integration of the equation of motion [3], but it can also provide insights in thermodynamic properties of magnetic systems when incorporated into a Monte Carlo scheme. We will show results for BCC iron. The authors thank the Fantomas project for funding. [1] A. Kirilyuk et al., RMP 82, 2731 (2010). [2] M.V. You and V. Heine, JPF: Met. Phys. 12, 177 (1982). [3] P. Ma and S.L. Dudarev, PRB 86, 054416 (2012).