Journal Article

PreJuSER-19027

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization

Atodiresei, N.FZJ* ; Caciuc, V.FZJ* ; Lazic, P. ; Blügel, S.FZJ*

2011
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10892  doi:10.1103/PhysRevB.84.172402

Abstract: We have performed systematic first-principles calculations to tailor the magnetic properties at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing p(pz) electrons onto a magnetic substrate. For such hybrid systems, magnetic properties such as molecular magnetic moments and their spatial orientation can be specifically tuned by substituting the H atoms with more electronegative atoms such as Cl and F. This chemical functionalization process surprisingly reveals the importance of the spin-orbit coupling present at the magnetic surface-molecule interface. As a key result, our simulations indicate a direct connection between substituent electronegativity and these magnetic properties which can be exploited to design more efficient organic spintronic devices.

Keyword(s): J

Note: This work is funded by the DFG SPP1243. The computations were performed on JUROPA and JUGENE supercomputers at the Julich Supercomputing Centre, Forschungszentrum Julich (Germany).

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-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 - Simulation Sciences (JARA-SIM)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2011

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