Regensburg 2016 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 54: Electron Theory of Magnetism and Micromagnetic Simulations

MA 54.4: Vortrag

Freitag, 11. März 2016, 10:45–11:00, H34

Implementation of the Relativistic DLM scheme within the SPR-KKR method: Finite temperature magnetic properties of metals and alloys. — •Sergiy Mankovsky and Hubert Ebert — Dept. Chemie, Universität München, D-81377 München, Deutschland

The relativistic disordered local moment (RDLM) method [1,2] has been implemented within the fully relativistic spin polarized KKR band structure method. Corresponding electronic structure calculations within this approach, that account self-consistently for temperature induced magnetic disorder, allows to go beyond the rigid spin approximation. This important step may be crucial in particular for itinerant electron magnetic materials and gives access to a more reliable investigation of various temperature dependent magnetic properties (e.g. average magnetization, magnetic anisotropy or transport properties). To illustrate the capability of this approach, calculations have been performed both for pure materials as well as for compounds. The results are compared with those obtained by other methods and with the experimental data.

[1]  J. B. Staunton et al., Phys. Rev. B 74, 144411 (2006)

[2] A. Deak et al., Phys. Rev. B 89, 224401 (2014)