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@ARTICLE{Choi:22670,
author = {Choi, Y.-K. and Cho, J.-H. and Sanyal, B. and Bihlmayer,
G.},
title = {{W}eak antiferromagnetic superexchange interaction in fcc
{C}60{H}n},
journal = {Physical review / B},
volume = {86},
number = {8},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-22670},
pages = {081415},
year = {2012},
note = {This work was supported by National Research Foundation of
Korea (NRF) grant funded by the Korean Government
(NRF-2011-0015754). The calculations were performed by KISTI
supercomputing center through the strategic support program
(KSC-2011-C3-08) for the supercomputing application
research.},
abstract = {A recent density-functional calculation for fcc C60Hn (n =
odd) [ K.W. Lee and C. E. Lee, Phys. Rev. Lett. 106, 166402
(2011)] proposed the existence of Stoner ferromagnetism
based on an itinerant band model. However, our
density-functional calculation shows that the
antiferromagnetic (AFM) configuration is slightly more
stable than the ferromagnetic (FM) one. This preference for
antiferromagnetism over ferromagnetism is analogous to the
case of a dimer (C60H)(2), where each C60H is spin polarized
by an intramolecular exchange and the two magnetic moments
are antiferromagnetically coupled with each other. The
results demonstrate that the underlying mechanism of the
magnetic order in fcc C60Hn is associated with the AFM
superexchange between the magnetic moments created by H
dopants.},
keywords = {J (WoSType)},
cin = {IAS-1 / PGI-1},
ddc = {530},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000308210000003},
doi = {10.1103/PhysRevB.86.081415},
url = {https://juser.fz-juelich.de/record/22670},
}