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Time-dependent magnons from first principles

ORAL

Abstract

We propose an efficient and not perturbative scheme to compute magnetic excitations for extended systems employing the framework of time-dependent density-functional theory. Within our approach we drive the system out of equilibrium using an ultra-short magnetic kick perpendicular to ground-state magnetization of the material. The dynamical properties of the system are obtained by propagating the time-dependent Kohn-Sham equations in real time and the analysis of the time-dependent magnetization reveals the transverse magnetic excitation spectrum of the magnet. We illustrate the performance of the method by computing the magnetization dynamics, obtained from a real-time propagation, for iron, cobalt and nickel and compare them to known results obtained using the linear-response formulation of time-dependent density-functional theory. Moreover, we point out that our time-dependent approach is not limited to the linear-response regime, and we present first results for non-linear magnetic excitations from first-principles in iron.

Presenters

  • Florian G Eich

    Max Planck Inst Structure & Dynamics of Matter

Authors

  • Nicolas Tancogne-Dejean

    Max Planck Inst Structure & Dynamics of Matter

  • Florian G Eich

    Max Planck Inst Structure & Dynamics of Matter

  • Angel Rubio

    Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Center for Computational Quantum Physics (CCQ), The Flatiron Institute, Max Planck Institute for Structure and Dynamics of Matter, Department of Physics, Columbia University, New York, New York 10027, USA, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany, Max Planck Institute for the Structure and Dynamics of Matter, Structure and Dynamics of Matter, Max Planck Institute, Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany, Max Planck Inst Structure & Dynamics of Matter, Max Planck Institue for the Structure and Dynamics of Matter, Theory, Max Planck Institute for the Structure & Dynamics of Matter