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000019027 1001_ $$0P:(DE-Juel1)130513$$aAtodiresei, N.$$b0$$uFZJ
000019027 245__ $$aEngineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
000019027 260__ $$aCollege Park, Md.$$bAPS$$c2011
000019027 300__ $$a172402
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000019027 500__ $$aThis work is funded by the DFG SPP1243. The computations were performed on JUROPA and JUGENE supercomputers at the Julich Supercomputing Centre, Forschungszentrum Julich (Germany).
000019027 520__ $$aWe 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.
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