# Berlin 2018 – wissenschaftliches Programm

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# MA: Fachverband Magnetismus

## MA 21: Poster I

### MA 21.23: Poster

### Dienstag, 13. März 2018, 09:30–13:00, Poster A

**First-principles study of the magnetic properties of ****4 d**

**/Fe bilayers on W(001)**— •Nanning Petersen, Sebastian Meyer, and Stefan Heinze — Institute of Theoretical Physics and Astrophysics, Christian-Albrechts-Universität zu Kiel, Leibnizstrasse 15, 24098 Kiel

The magnetic ground state of an Fe monolayer (ML) can be tuned by growth on different 4*d*- and 5*d*-transition metal substrates due to hybridization at the interface. In particular, it has been shown that an Fe ML on the Pd(001) surface is ferromagnetic while it becomes antiferromagnetic on W(001) [1]. Here, we use density functional theory as implemented in the FLEUR code [2] to investigate the magnetic properties of composite systems of 4*d*/Fe bilayers on the W(001) surface varying the 4*d* transition-metal from Nb to Pd. Since W is a heavy transition-metal with large spin-orbit coupling, significant Dzyaloshinskii-Moriya (DM) interaction is expected. We calculate the energy difference between the
ferro- and the antiferromagnetic state for 4*d*/Fe bilayers on W(001). Spin spiral calculations are performed to obtain the exchange and the DM interaction. We first focus on model systems of freestanding 4*d*/Fe/W trilayers as well as the Fe/W bilayer and compare these calculations with those for film systems such as Pd/Fe/W(001).

P. Ferriani *et al*., Phys. Rev. B **72**, 024452 (2005)

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