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