Dresden 2017 – wissenschaftliches Programm
MA 38.9: Vortrag
Mittwoch, 22. März 2017, 11:45–12:00, HSZ 403
Dzyaloshinskii-Moriya interaction parameters calculated by means of the relativistic KKR Green function method — •Sergiy Mankovsky and Hubert Ebert — Dept. Chemie, Ludwig-Maximilians-Universität München, 81377 München, Germany
A new scheme to calculate the inter-atomic Dzyaloshinskii-Moriya (DM) interaction parameters by means of the relativistic KKR (Korringa-Kohn-Rostoker) Green function method is presented. For this purpose, perturbation theory is used to express the change in energy Δ E caused by a helimagnetic modulation – characterized by a small wave vector q→ – of a magnetically ordered system. The corresponding derivative ∂ E/∂ qα in the limit q → 0 gives access to the various components of the DM vector . Making use of the real space representation of the electronic Green functions as supplied by the KKR formalism an expression for the inter-atomic DM interaction parameters is obtained. The present approach avoids the calculation of the full exchange coupling tensor [2,3] and allows to calculate the components of the DM vector using just one magnetic configuration. Test calculations have been performed for various 3D and 2D systems. The corresponding results are compared with results obtained previously using other schemes suggested in the literature [1,2,3].
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