%0 Journal Article
%A Friedrich, Rico
%A Caciuc, Vasile
%A Kiselev, Nikolai
%A Atodiresei, Nicolae
%A Blügel, Stefan
%T Chemically functionalized magnetic exchange interactions of hybrid organic-ferromagnetic metal interfaces
%J Physical review / B
%V 91
%N 11
%@ 1098-0121
%C College Park, Md.
%I APS
%M FZJ-2015-02209
%P 115432
%D 2015
%X We theoretically explore through systematic multiscale ab initio and Monte Carlo calculations how the surface magnetism of a ferromagnetic surface can be fine-tuned by nonmagnetic organic molecules containing a single π bond. We demonstrate that a magnetic hardening or softening can be induced depending on the electronegativity of the heteroatom or when the π-bond “bridges” the magnetic surface atoms. Finally, the Monte Carlo simulations revealed taylored macroscopic hysteresis loops corresponding to soft and hard molecule-surface magnets.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000351875400003
%R 10.1103/PhysRevB.91.115432
%U https://juser.fz-juelich.de/record/188913