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@ARTICLE{Sasioglu:14821,
author = {Sasioglu, E. and Friedrich, C. and Blügel, S.},
title = {{E}ffective {C}oulomb interaction in transition metals from
constrained random-phase approximation},
journal = {Physical review / B},
volume = {83},
number = {12},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-14821},
pages = {121101},
year = {2011},
note = {Fruitful discussions with F. Freimuth, A. Schindlmayr, T.
Miyake, F. Aryasetiawan, and R. Sakuma are gratefully
acknowledged. This work has been supported in part by the
DFG through the Research Unit FOR-1346.},
abstract = {The effective on-site Coulomb interaction (Hubbard U)
between localized d electrons in 3d, 4d, and 5d transition
metals is calculated employing a parameter-free realization
of the constrained random-phase approximation using Wannier
functions within the full-potential linearized
augmented-plane-wave method. The U values lie between 1.5
and 5.7 eV and depend on the crystal structure, spin
polarization, d electron number, and d orbital filling. On
the basis of the calculated U parameters, we discuss the
strength of the electronic correlations and the instability
of the paramagnetic state toward the ferromagnetic one for
3d metals.},
keywords = {J (WoSType)},
cin = {PGI-1 / IAS-1 / JARA-FIT / JARA-SIM},
ddc = {530},
cid = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
$I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1045},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000288784900001},
doi = {10.1103/PhysRevB.83.121101},
url = {https://juser.fz-juelich.de/record/14821},
}