Surface core-level shifts on Ge(111)c(2 x 8): Experiment and theory
2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 83, no 24, 245319- p.Article in journal (Refereed) Published
Combining high-resolution photoelectron spectroscopy and density functional theory (DFT) calculations, 3d photoemission line shape and surface core-level shifts have been reinvestigated on the Ge(111)c(2 x 8) surface. It is found that 3d spectra include, in addition to the bulk and three surface-shifted components reported in literature, a component that was not identified in earlier measurements with a lower resolution. The detailed interpretation of these spectra and their line shape is made on the basis of DFT calculations. It is shown that the lowest binding energy component is due to the rest atoms. The higher binding energy emission is caused by the adatoms and the third-layer atoms that are below the adatoms. Finally, the two other surface components originate from the first- and second-layer atoms. The screening effects in the Ge(111)c(2 x 8) are discussed.
Place, publisher, year, edition, pages
2011. Vol. 83, no 24, 245319- p.
INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, BASIS-SET, PHOTOEMISSION, GE(111)-C(2X8), RECONSTRUCTION, SPECTROSCOPY, DIFFRACTION, TRANSITION
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-36225DOI: 10.1103/PhysRevB.83.245319ISI: 000292183300006ScopusID: 2-s2.0-79961221520OAI: oai:DiVA.org:kth-36225DiVA: diva2:430683
QC 201107112011-07-122011-07-112011-07-12Bibliographically approved