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@ARTICLE{AlZubi:14051,
author = {Al-Zubi, A. and Bihlmayer, G. and Blügel, S.},
title = {{M}agnetism of 3d transition-metal monolayers on {R}h(100)},
journal = {Physical review / B},
volume = {83},
number = {2},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-14051},
pages = {024407},
year = {2011},
note = {We acknowledge valuable discussions with J. Kudrnovsky and
A. Lehnert, and the financial support of the ESF EUROCORES
Programme SONS under Contract No. ERAS-CT-2003-980409.},
abstract = {We employ the full-potential linearized augmented
plane-wave method to report a systematic density-functional
theory study of the magnetic properties of the 3d
transition-metal (V, Cr, Mn, Fe, Co, and Ni) monolayers
deposited on the Rh(100) substrate. We find that all
monolayer films are magnetic. The size of the local magnetic
moments across the transition-metal series follows Hund's
rule with a maximum magnetic moment of 3.77 mu(B) for Mn.
The largest induced magnetic moment of about 0.46 mu(B) was
found for Rh atoms adjacent to the Co film. When relaxations
are included, we predict a ferromagnetic (FM) ground state
for V, Co, and Ni, while Cr, Mn, and Fe favor a c(2 x 2)
antiferromagnetic (AFM) state, a checkerboard arrangement of
up and down magnetic moments. The magnetic anisotropy
energies of these ultrathin magnetic films are calculated
for the FM and AFM states. With the exception of Cr, the
easy axis of the magnetization is predicted to be in the
film plane. Rough estimates of the ordering temperatures are
given. To gain an understanding of the c(2 x 2) AFM state of
Fe/Rh(100), we analyze this result with respect to the
trends of the magnetic order of 3d monolayers on other 4d
substrates, such as Pd(100) and Ag(100).},
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:000286751600006},
doi = {10.1103/PhysRevB.83.024407},
url = {https://juser.fz-juelich.de/record/14051},
}