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@ARTICLE{Peters:829697,
author = {Peters, L. and Di Marco, I. and Grånäs, O. and
Şaşıoğlu, E. and Altun, A. and Rossen, S. and Friedrich,
Christoph and Blügel, S. and Katsnelson, M. I. and
Kirilyuk, A. and Eriksson, O.},
title = {{C}orrelation effects and orbital magnetism of {C}o
clusters},
journal = {Physical review / B},
volume = {93},
number = {22},
issn = {2469-9950},
address = {Woodbury, NY},
publisher = {Inst.},
reportid = {FZJ-2017-03341},
pages = {224428},
year = {2016},
abstract = {Recent experiments on isolated Co clusters have shown huge
orbital magnetic moments in comparison with their bulk and
surface counterparts. These clusters hence provide the
unique possibility to study the evolution of the orbital
magnetic moment with respect to the cluster size and how
competing interactions contribute to the quenching of
orbital magnetism. We investigate here different theoretical
methods to calculate the spin and orbital moments of Co
clusters, and assess the performances of the methods in
comparison with experiments. It is shown that
density-functional theory in conventional local density or
generalized gradient approximations, or even with a hybrid
functional, severely underestimates the orbital moment. As
natural extensions/corrections, we considered the orbital
polarization correction, the LDA+U approximation as well as
the LDA+DMFT method. Our theory shows that of the considered
methods, only the LDA+DMFT method provides orbital moments
in agreement with experiment, thus emphasizing the
importance of dynamic correlations effects for determining
fundamental magnetic properties of magnets in the nanosize
regime.},
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:000378811500006},
doi = {10.1103/PhysRevB.93.224428},
url = {https://juser.fz-juelich.de/record/829697},
}