Journal Article

PreJuSER-57446

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation

Ishida, H. ; Wortmann, D.FZJ* ; Liebsch, A.FZJ*

2006
APS College Park, Md.

This record in other databases:  

Please use a persistent id in citations: http://hdl.handle.net/2128/7701  doi:10.1103/PhysRevB.73.245421

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.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

---

Research Program(s):

1. Kondensierte Materie (P54)

Appears in the scientific report 2006
Notes: Nachtrag

---

Database coverage:
;

---