# Dresden 2017 – wissenschaftliches Programm

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# MA: Fachverband Magnetismus

## MA 38: Electron Theory of Magnetism and Correlations

### 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*/∂ *q*_{α} in the limit *q* → 0
gives access to the various components of the DM vector [1].
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].

[1] F. Freimuth, S. Blügel and Y. Mokrousov, J. Phys.: Condens. Matter
**26**, 104202 (2014)

[2] L. Udvardi, L. Szunyogh, K. Palotas, and P. Weinberger, Phys. Rev. B
**68**, 104436 (2003)

[3] H. Ebert and S. Mankovsky, Phys. Rev. B **79**, 045209 (2009)