Dresden 2009 – scientific programme

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MA: Fachverband Magnetismus

MA 23: Magnetic Thin Films II

MA 23.3: Talk

Wednesday, March 25, 2009, 15:15–15:30, HSZ 04

Ab initio prediction of a novel magnetic phase of Fe on Rh(111) — •ali al-zubi, gustav bihlmayer, and stefan blügel — Institut für Festkörperforschung & Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich

We study a Fe monolayer (ML) on the hexagonal Rh(111) and Tc(0001) surfaces using density functional theory with the full-potential linearized augmented plane wave method as implemented in the FLEUR code. Surprisingly, antiferromagnetic (AFM) exchange interaction between the Fe atoms is dominating. Due to topological frustration on the triangular lattice, the AFM coupling leads to a 120^∘ Néel structure on Tc, while a novel double-row-wise AFM structure (an AFM sequence of ferromagnetic bi-atomic rows of atoms) is found on Rh(111). A better understanding of these phases of Fe on the 4d transition-metals substrates [1] is obtained by analyzing the role of exchange interactions in terms of the classical Heisenberg model and additional higher order interactions. From this it can be seen that higher order terms, in the form of 4-spin and bi-quadratic interactions, as well as the induced magnetic moments in the substrate play an important role in the formation of the double-row-wise structure. Possibilities to observe these structures with the spin-polarized scanning tunneling microscope are discussed.
[1] B. Hardrat, A. Al-Zubi, P. Ferriani, S. Blügel, G. Bihlmayer and S. Heinze, submitted to Phys. Rev. B