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@ARTICLE{Singer:46384,
author = {Singer, R. and Fähnle, M. and Bihlmayer, G.},
title = {{C}onstrained spin-density functional theory for excited
magnetic configurations in an adiabatic approximation},
journal = {Physical review / B},
volume = {71},
number = {21},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-46384},
pages = {214435},
year = {2005},
note = {Record converted from VDB: 12.11.2012},
abstract = {The magnetic energy and the magnitudes of the magnetic
moments are calculated for excited magnetic configurations
with strong moment cantings. The calculations are performed
by use of an exact constraining scheme for the moments via
constraining fields, and by use of an approximate
constraining scheme via the prescription of the local spin
quantization axes in the spin atomic sphere approximation.
It is shown that the latter constraining scheme becomes
totally inadequate for systems with strong moment cantings.
When increasing the degree of moment canting, the magnitudes
of the moments remain rather stable for Fe but become
completely unstable for Ni while for Co the situation is in
between the two cases.},
keywords = {J (WoSType)},
cin = {IFF-TH-I},
ddc = {530},
cid = {I:(DE-Juel1)VDB30},
pnm = {Kondensierte Materie},
pid = {G:(DE-Juel1)FUEK242},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000230276600072},
doi = {10.1103/PhysRevB.71.214435},
url = {https://juser.fz-juelich.de/record/46384},
}