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@ARTICLE{aolu:827753,
author = {Şaşıoğlu, E. and Hadipour, H. and Friedrich, Christoph
and Blügel, S. and Mertig, I.},
title = {{S}trength of effective {C}oulomb interactions and origin
of ferromagnetism in hydrogenated graphene},
journal = {Physical review / B},
volume = {95},
number = {6},
issn = {2469-9950},
address = {Woodbury, NY},
publisher = {Inst.},
reportid = {FZJ-2017-01859},
pages = {060408},
year = {2017},
abstract = {Hydrogenation provides a novel way to tune the electronic
properties of graphene. Recent scanning tunneling microscopy
experiments have demonstrated that local graphene magnetism
can be selectively switched on and off by hydrogen (H)
dimers. Employing first-principles calculations in
conjunction with the constrained random-phase approximation
we determine the strength of the effective Coulomb
interaction U in hydrogenated graphene. We find that the
calculated U parameters are smaller than the ones in
graphene and depend on the H concentration. Moreover, the U
parameters are very sensitive to the position of H atoms
adsorbed on the graphene lattice. We discuss the instability
of the paramagnetic state of the hydrogenated graphene
towards the ferromagnetic one on the basis of calculated U
parameters within the Stoner model. Spin-polarized
calculations reveal that the itinerant ferromagnetism in
hydrogenated graphene can be well accounted for by the
Stoner model.},
cin = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
ddc = {530},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
$I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
pnm = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000393943300002},
doi = {10.1103/PhysRevB.95.060408},
url = {https://juser.fz-juelich.de/record/827753},
}