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@ARTICLE{Slipukhina:16693,
author = {Slipukhina, I. and Mavropoulos, Ph. and Blügel, S. and
Lezaic, M.},
title = {{F}erromagnetic {S}pin {C}oupling of 2p {I}mpurities in
{B}and {I}nsulators {S}tabilized by an {I}ntersite {C}oulomb
{I}nteraction: {N}itrogen-{D}oped {M}g{O}},
journal = {Physical review letters},
volume = {107},
issn = {0031-9007},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-16693},
pages = {137203},
year = {2011},
note = {We appreciate valuable discussions with K. Rushchanskii and
A. Liebsch, and the support of the Julich Supercomputing
Centre. I. S. and M. L. gratefully acknowledge the support
of the Young Investigators Group Program of the Helmholtz
Association, Contract No. VH-NG-409.},
abstract = {For a nitrogen dimer in insulating MgO, a ferromagnetic
coupling between spin-polarized 2p holes is revealed by
calculations based on the density functional theory amended
by an on-site Coulomb interaction and corroborated by the
Hubbard model. It is shown that the ferromagnetic coupling
is facilitated by a T-shaped orbital arrangement of the 2p
holes, which is in its turn controlled by an intersite
Coulomb interaction due to the directionality of the p
orbitals. We thus conjecture that this interaction is an
important ingredient of ferromagnetism in band insulators
with 2p dopants.},
keywords = {J (WoSType)},
cin = {IAS-1 / JARA-FIT / JARA-SIM / PGI-1},
ddc = {550},
cid = {I:(DE-Juel1)IAS-1-20090406 / $I:(DE-82)080009_20140620$ /
I:(DE-Juel1)VDB1045 / I:(DE-Juel1)PGI-1-20110106},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
shelfmark = {Physics, Multidisciplinary},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000295083100018},
doi = {10.1103/PhysRevLett.107.137203},
url = {https://juser.fz-juelich.de/record/16693},
}