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| Hauptseite > Publikationsdatenbank > Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation > print |
| Hauptseite > Publikationsdatenbank > Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation > print |
| 001 | 57446 | ||
| 005 | 20230426083239.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.73.245421 |2 DOI |
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| 037 | _ | _ | |a PreJuSER-57446 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |a Ishida, H. |b 0 |0 P:(DE-HGF)0 |
| 245 | _ | _ | |a Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2006 |
| 300 | _ | _ | |a 245421 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
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| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review B |x 1098-0121 |0 4919 |v 73 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a 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. |
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| 588 | _ | _ | |a Dataset connected to Web of Science, Pubmed |
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| 700 | 1 | _ | |a Wortmann, D. |b 1 |u FZJ |0 P:(DE-Juel1)131042 |
| 700 | 1 | _ | |a Liebsch, A. |b 2 |u FZJ |0 P:(DE-Juel1)VDB941 |
| 773 | 1 | 8 | |a 10.1103/physrevb.73.245421 |b American Physical Society (APS) |d 2006-06-19 |n 24 |p 245421 |3 journal-article |2 Crossref |t Physical Review B |v 73 |y 2006 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.73.245421 |g Vol. 73, p. 245421 |p 245421 |n 24 |q 73<245421 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 73 |y 2006 |x 1098-0121 |
| 856 | 7 | _ | |2 Pubmed Central |u http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3263814 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/57446/files/FZJ-57446.pdf |y OpenAccess |z Published final document. |
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