TY  - JOUR
AU  - Friedrich, Rico
AU  - Caciuc, Vasile
AU  - Kiselev, Nikolai
AU  - Atodiresei, Nicolae
AU  - Blügel, Stefan
TI  - Chemically functionalized magnetic exchange interactions of hybrid organic-ferromagnetic metal interfaces
JO  - Physical review / B
VL  - 91
IS  - 11
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - FZJ-2015-02209
SP  - 115432
PY  - 2015
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000351875400003
DO  - DOI:10.1103/PhysRevB.91.115432
UR  - https://juser.fz-juelich.de/record/188913
ER  -