%0 Journal Article
%A Atodiresei, N.
%A Caciuc, V.
%A Lazic, P.
%A Blügel, S.
%T Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
%J Physical review / B
%V 84
%N 17
%@ 1098-0121
%C College Park, Md.
%I APS
%M PreJuSER-19027
%P 172402
%D 2011
%Z 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).
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000296861000001
%R 10.1103/PhysRevB.84.172402
%U https://juser.fz-juelich.de/record/19027