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MA: Fachverband Magnetismus

MA 15: Poster:ThinFilms(1-33),Transp.(34-49),ExchBias(50-56),
Spindynamics(57-70),Micro-nanostr.Mat.(71-82),
Particles/Clust.(83-88), Mag.Imag./Surface(89-96),
Spinelectronics(97-109), Theory/Micromag.(110-116),
Spinstruct/Phasetr.(117-128),Magn.Mat.(129-139),
Aniso.+Measuring(140-145), MolMag.(146-152),
MSMA(153-156)

MA 15.113: Poster

Dienstag, 27. März 2007, 15:00–19:00, Poster A

Spin-wave excitations from time-dependent density-functional theory — Manfred Niesert, •Arno Schindlmayr, Christoph Friedrich, and Stefan Blügel — Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany

Spin waves constitute an important class of low-energy excitations in magnetic solids with a characteristic material-specific dispersion and a direct relation to magnetization dynamics. Until now most theoretical studies are based on the Heisenberg model of localized spins or on the frozen-magnon method, but neither is applicable to investigate the dynamics of spin waves in metallic systems with itinerant electrons. As a possible solution, time-dependent density-functional theory gives access to the full frequency-dependent transverse spin susceptibility, from which the lifetimes of spin-wave excitations as well as related spectral information can be extracted. We develop a practical scheme to calculate spin-wave spectra from first principles within this framework and illustrate its performance by applications to prototype ferromagnetic transition metals. Our implementation uses the full-potential linearized augmented-plane-wave method, and dynamic exchange-correlation effects are in the first instance described by the adiabatic local-density approximation. This work is funded by the Deutsche Forschungsgemeinschaft through the Priority Programme 1145.