Berlin 2008 – scientific programme

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MA: Fachverband Magnetismus

MA 30: Electron Theory

MA 30.4: Talk

Thursday, February 28, 2008, 15:15–15:30, H 1028

Ab-initio calculations of adiabatic magnon spectra using the atomic-sphere-approximation for the spin direction — Reinhard Singer, •Frank Dietermann, Daniel Steiauf, and Manfred Fähnle — Max-Planck-Institute für Metallforschung, Heisenbergstrasse 3, D-70569 Stuttgart, Germany

The frozen-magnon calculations of the adiabatic spin-wave spectra, which are often based on the atomic-sphere approximation (spin-ASA), are revisited. There are two complications arising from the spin-ASA: The atomic magnetic moments are not necessarily parallel to the local spin-quantization axes of the spin-ASA, and there may be additional torques acting on the magnetic moments. It is shown that the spin-wave energies obtained from spin-ASA calculations are very similar to those of full-spin calculations if these two complications are taken into account properly.[1]

[1] R.Singer, F.Dietermann, D.Steiauf and M. Fähnle, Phys.Rev.B 76, 052403