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O: Fachverband Oberflächenphysik

O 51: Surface and Interface Magnetism I (O jointly with MA)

O 51.6: Vortrag

Mittwoch, 2. April 2014, 11:45–12:00, WIL C107

Impact of the large substrate polarization on the magnetic anisotropy energy of 3d adatoms on Pt(111) — •Mohammed Bouhassoune, Manuel dos Santos Dias, David S. G. Bauer, and Samir Lounis — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany

It has been shown recently, from first-principles and experimentally with inelastic tunneling spectroscopy, that the magnetic anisotropy energy (MAE) of single Fe adatoms deposited on Pt(111) surface depends strongly on the adsorption site. Surprisingly the sign of the MAE changes once an Fe adatom is moved from an fcc site to a hcp site, thus favoring an in-plane orientation of the moment instead of the out-of-plane orientation [1]. We perform ab-initio calcualtions utilizing the full-relativistic full-potential Korringa-Kohn-Rostoker Green function method [2] for Cr, Mn, Fe and Co adatoms, analyse the contribution of the neighboring shells of Pt atoms and demonstrate that the large polarisation cloud of the Pt-substrate impacts strongly on the MAE.

This work is supported by the HGF-YIG Programme

FunSiLab –Functional Nanoscale Structure Probe and Simulation Laboratory (VH-NG-717).

[1] A. A. Khajetoorians, T. Schlenk, B. Schweflinghaus, M. dos Santos Dias, M. Steinbrecher, M. Bouhassoune, S. Lounis, J. Wiebe, R. Wiesendanger, PRL 111, 157204 (2013)

[2] D. S. G. Bauer, PhD thesis, RWTH-Aachen (2013)