Berlin 2015 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 3: Tutorial: Density Functional Theory: A Computational Path to Interesting Spin-Textures and Novel Skyrmions (organized by MA)

TT 3.1: Tutorium

Sonntag, 15. März 2015, 16:05–16:50, H 1012

Introduction to Spin-Density-Functional Theory — •Nicole Helbig — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany

Density functional theory is the most powerful framework for a microscopic analysis of electronic properties of real solids. Spin-density-functional theory (spin-DFT) extends the density functional theory framework to allow for the description of magnetic systems, possibly in the presence of an external magnetic field. In this tutorial we introduce this subject from an elementary point of view and discuss the theoretical background of spin-DFT in both its collinear and non-collinear versions. Approximations for the exchange-correlation energy, which are necessary for practical applications, are also introduced. We give examples for calculations of different magnetic structures within spin-DFT and discuss how the theoretical results compare to experiments.