Regensburg 2019 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 55: Electron theory and micromagnetism

MA 55.7: Vortrag

Freitag, 5. April 2019, 11:00–11:15, H38

Spin excitations in magnetic nanostructures with spin-orbit coupling from first-principles time-dependent DFT+U — •Manuel dos Santos Dias, Sascha Brinker, and Samir Lounis — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, 52425 Jülich, Germany

Time-dependent density functional theory has been very successful in describing spin excitations and spin fluctuations of surface-supported magnetic adatoms and dimers [1,2]. However, orbital correlation effects are poorly described by the adiabatic local spin density approximation. We combined our linear-response theory of magnetic nanostructures with spin-orbit coupling in real-space [3] with a parameter-free Hubbard-U-like kernel [4]. Magnetic adatoms on Cu(111) and Pt(111) serve as a benchmark to explore whether orbital polarization impacts dynamical quantities such as spin pumping or spin relaxation. Dimers and trimers are used to study the interplay between orbital correlation and delocalization, and to show the scalability of this approach.
This work was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (ERC-consolidator Grant No. 681405-DYNASORE).
[1] J. I. Azpiroz et al., J. Phys.: Condens. Matter 30, 343002 (2018)

[2] F. S. M. Guimarães et al., Phys. Rev. B 96, 144401 (2017)

[3] M. dos Santos Dias et al., Phys. Rev. B 91, 075405 (2015)

[4] N. Tancogne-Dejean et al., Phys. Rev. B 96, 245133 (2017)