Regensburg 2010 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 31: Surface Magnetism / Magnetic Imaging II

MA 31.8: Vortrag

Donnerstag, 25. März 2010, 17:00–17:15, H23

On the magnetic anisotropy of free-standing and deposited Fe_xCo_1−x monolayers — •Sven Bornemann¹, Ondřej Šipr², Jan Minár¹, Sergey Mankovsky¹, Julie B. Staunton³, and Hubert Ebert¹ — ¹Department Chemie und Biochemie, LMU München, Germany — ²Institute of Physics of the ASCR v. v. i., Prague, Czech Republic — ³Department of Physics, University of Warwick, United Kingdom

An accurate theoretical determination of the magnetic anisotropy energy (MAE) is still today a very challenging task for current ab-initio theories. The results can be highly dependend on the applied computational scheme as well as on various approximations and calculational parameters. As the magnetic anisotropies are so sensitive to these factors special care has to be taken when comparing new numerical results with values from the literature. Here, we present MAE results for free-standing and deposited Fe_xCo_1−x monolayers and analyse in detail the occuring trends with corresponding changes in the electronic band structure. Our findings are compared with results of Moulas et al. and the various conjectures of Wang et al., Daalderop et al. as well as Kondorskii and Straube. Furthermore, a decomposition of the spin-orbit coupling (SOC) operator into spin-diagonal and spin-off-diagonal contributions allows for a distinct comparison with the models of Bruno and van der Laan. In line with all these considerations we discuss the most important features that are necessary for obtaining a very large MAE.