Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 11: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge II (joint session O/CPP/DS/TT)

O 11.10: Vortrag

Montag, 1. April 2019, 17:15–17:30, H9

Spin fluctuations in itinerant ferromagnets: Computing the dynamic transverse spin susceptibility with TDDFT and PAW — •Thorbjørn Skovhus and Thomas Olsen — Technical University of Denmark

We present a numerical scheme for computing the dynamic transverse spin susceptibility using time-dependent density functional theory which allows us to study magnons in itinerant ferromagnets. The scheme is based on a real-space grid implementation of the projected augmented wave method and use a simple plane wave representation of the response function. Employing the adiabatic local density approximation for the exchange-correlation kernel, calculations of the magnon spectra in bulk transition metals iron and nickel are presented. In the context of the present implementation, the influence from the choice of numerical scheme on the violation of the Goldstone theorem is investigated.