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@ARTICLE{Ishida:57446,
author = {Ishida, H. and Wortmann, D. and Liebsch, A.},
title = {{E}lectronic structure of {S}r{VO}3(001) surfaces: a
local-density approximation plus dynamical mean-field theory
calculation},
journal = {Physical review / B},
volume = {73},
number = {24},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-57446},
pages = {245421},
year = {2006},
note = {Record converted from VDB: 12.11.2012},
abstract = {The influence of local Coulomb correlations on the surface
electronic structure of SrVO3, a strongly-correlated metal
in a perovskite structure, is investigated for both the
SrO-layer and VO2-layer-terminated (001) surfaces. The
electronic structure within the local density approximation
of a semi-infinite surface is determined using the embedded
Green-function approach, and the resultant density of states
projected on the V t2g orbitals is used as an input to a
subsequent many-body calculation within the dynamical mean
field theory (DMFT) and the multiorbital quantum Monte Carlo
technique. Qualitatively, the present study confirms the
conclusion of recent photoemission experiments and
tight-binding DMFT calculations which both indicate that the
electronic structure at the surface is more strongly
correlated than in the bulk. On a quantitative level
significant differences are obtained as a function of
orbital polarization at the surface, surface layer
relaxation, and SrO vs VO2 surface termination.},
keywords = {J (WoSType)},
cin = {IFF-TH-I},
ddc = {530},
cid = {I:(DE-Juel1)VDB30},
pnm = {Kondensierte Materie},
pid = {G:(DE-Juel1)FUEK414},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000238696900119},
doi = {10.1103/PhysRevB.73.245421},
url = {https://juser.fz-juelich.de/record/57446},
}