%0 Journal Article
%A Ishida, H.
%A Wortmann, D.
%A Liebsch, A.
%T Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation
%J Physical review / B
%V 73
%N 24
%@ 1098-0121
%C College Park, Md.
%I APS
%M PreJuSER-57446
%P 245421
%D 2006
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000238696900119
%R 10.1103/PhysRevB.73.245421
%U https://juser.fz-juelich.de/record/57446