Journal Article

PreJuSER-3773

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Complex Magnetism of Iron Monolayers on Hexagonal Transition Metal Surfaces from First Principles

Hardrat, B. ; Al-Zubi, A.FZJ* ; Ferriani, P. ; Blügel, S.FZJ* ; Bihlmayer, G.FZJ* ; Heinze, S.

2009
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/11050  doi:10.1103/PhysRevB.79.094411

Abstract: Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the nearest-neighbor exchange coupling of Fe changes gradually from antiferromagnetic (AFM) for Fe films on Tc, Re, Ru, and Os to ferromagnetic on Rh, Ir, Pd, and Pt. In combination with the topological frustration on the triangular lattice of these surfaces the AFM coupling results in a 120 degrees Neel structure for Fe on Re and Ru and an unexpected double-row-wise AFM structure on Rh, which is a superposition of left- and right-rotating 90 degrees spin spirals.

Keyword(s): J ; antiferromagnetic materials (auto) ; exchange interactions (electron) (auto) ; ferromagnetic-antiferromagnetic transitions (auto) ; iron (auto) ; magnetic thin films (auto) ; monolayers (auto) ; Neel temperature (auto) ; surface magnetism (auto)

Note: Financial support of the Stifterverband fur die Deutsche Wissenschaft, the Interdisciplinary Nanoscience Center Hamburg, and the ESF EUROCORES Programme SONS under Contract No. ERAS-CT-2003-980409 is gratefully acknowledged.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IFF-1)
2. Quanten-Theorie der Materialien (IAS-1)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2009

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