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@ARTICLE{Hadipour:858569,
author = {Hadipour, H. and Sasioglu, Ersoy and Bagherpour, F. and
Friedrich, Christoph and Blügel, S. and Mertig, I.},
title = {{S}creening of long-range {C}oulomb interaction in graphene
nanoribbons: {A}rmchair versus zigzag edges},
journal = {Physical review / B},
volume = {98},
number = {20},
issn = {2469-9950},
address = {Woodbury, NY},
publisher = {Inst.},
reportid = {FZJ-2018-07439},
pages = {205123},
year = {2018},
abstract = {We study the electronic screening of the long-range Coulomb
interaction in graphene nanoribbons (GNRs) with armchair and
zigzag edges as a function of the ribbon width by employing
ab initio calculations in conjunction with the random-phase
approximation. We find that in GNRs with armchair edges
quantum confinement effects lead to oscillatory behavior of
the on-site screened Coulomb interaction with the ribbon
width. Furthermore, the reduced dimensionality and the
existence of a band gap result in a nonconventional
screening of the Coulomb interaction; that is, it is
screened at short distances and antiscreened at intermediate
distances, and finally, it approaches the bare (unscreened)
interaction at large distances. In the case of GNRs with
zigzag edges the presence of edge states strongly affects
the screening, which leads to a strong reduction of the
effective on-site Coulomb interaction (Hubbard U) parameters
at the edge. We find that the interactions turn out to be
local; the nonlocal part is strongly screened due to edge
states, making GNRs with zigzag edges correlated materials.
On the basis of the calculated effective Coulomb interaction
parameter U, we discuss the appearance of ferromagnetism at
zigzag edges of GNRs within 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:000450139700006},
doi = {10.1103/PhysRevB.98.205123},
url = {https://juser.fz-juelich.de/record/858569},
}