TY  - JOUR
AU  - Ishida, H.
AU  - Wortmann, D.
AU  - Liebsch, A.
TI  - Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation
JO  - Physical review / B
VL  - 73
IS  - 24
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-57446
SP  - 245421
PY  - 2006
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000238696900119
DO  - DOI:10.1103/PhysRevB.73.245421
UR  - https://juser.fz-juelich.de/record/57446
ER  -