TY  - JOUR
AU  - Atodiresei, N.
AU  - Caciuc, V.
AU  - Lazic, P.
AU  - Blügel, S.
TI  - Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
JO  - Physical review / B
VL  - 84
IS  - 17
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-19027
SP  - 172402
PY  - 2011
N1  - 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).
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000296861000001
DO  - DOI:10.1103/PhysRevB.84.172402
UR  - https://juser.fz-juelich.de/record/19027
ER  -