Berlin 2015 – scientific programme

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MA: Fachverband Magnetismus

MA 1: Tutorial: Density Functional Theory: A computational path to interesting spin-textures and novel skyrmions

MA 1.2: Tutorial

Sunday, March 15, 2015, 16:50–17:35, H 1012

Determining chiral magnetism from density functional theory — •Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany

Spin-orbit interaction in magnetic solids with bulk or structure inversion-asymmetry leads to the Dzyaloshinskii-Moriya interaction [1]. This magnetic interaction is a source of chiral magnetism and can subsequently lead to magnetic skyrmions – topological magnetization solitons – that may open a completely new vista to spintronics. A crucial issue is to find magnetic materials and ultra-thin films that combine the right properties such that these skyrmions can be formed. Density functional theory is a theoretical framework that permits the calculation of magnetic properties of materials from first-principles and is as such a tool for the analysis of experiments, for providing understanding of the magnetic interaction and for the design of the proper materials. In this endeavor your help is requested, many more ab initio calculations and experiments are needed. In this tutorial I explain concepts used to find these complex magnetic phases. The tutorial is conceptualized such that experimentalists can follow what we really calculate and what we can do and which assumptions are made, and theory students might get some insight into our methodology [2]. Examples are discussed mostly from the field of thin films [3].

[1] M. Bode et al., Nature 447, 190 (2007).

[2] see for example www.juDFT.de

[3] S. Heinze et al., Nature Physics 7, 713 (2011).