Berlin 2015 – scientific programme
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MA: Fachverband Magnetismus
MA 44: Surface Magnetism (Joint Session with O) - Adatoms on surfaces
MA 44.5: Talk
Thursday, March 19, 2015, 16:00–16:15, H 0110
Magnetism of Fe/Pt surface alloys and Fe/Pt nanostructures embedded in Pt(111) via ab initio calculations — •Saleem Ayaz Khan1, Ján Minár1,2, and Ondřej Šipr3 — 1University of West Bohemia, Plzeň, Czech Republic — 2Universität München, Germany — 3Institute of Physics ASCR, Praha, Czech Republic
Embedding Fe atoms in the surface layer of Pt (111) creates low dimensional materials with complex magnetic behavior. To understand the combined effect of coordination and disorder, a systematic theoretical study of spin and orbital magnetic moments and of density of states for a series of embedded Fe/Pt nanostructures was performed within the ab initio density functional theory framework, using the FLAPW method (WIEN2K code) and the KKR-Green's function method (SPRKKR code). Different ways of including relativistic effects were tested. We find that increasing the Pt content in Fe/Pt nanostructures generally results in enhancement of magnetic moments. The effect of hybridization of Fe 3d and Pt 5d electrons in the presence of a surface is discussed in detail.