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Experimental and theoretical surface core-level shifts of aluminum (100) and (111)

In English

Författare

Summary, in English

The surface core-level shifts of Al(111) and Al(100) have been measured using high-resolution core-level photoemission spectroscopy and calculated using density functional theory (DFT). For Al(100), the 2p core-level shift of the first (second) layer was determined to be –75 meV (+20 meV) from experiment and –71 meV (+20 meV) from the DFT calculations. For Al(111), the corresponding values are –27 meV (0 meV) from experiment and –14 meV (–) from the DFT calculations. Core-level splittings caused by the low-symmetry crystal fields at the (111) and (100) surfaces have also been studied. These splittings turn out to be much smaller than previously reported provided proper care is taken of the influence of the core hole screening and of core–valence exchange beyond the DFT level. Finally, the experimental Al 2p line shape was found to contain structure caused by a sharp no-phonon line and a broad and weak phonon replica.

Publiceringsår

2004

Språk

Engelska

Publikation/Tidskrift/Serie

Physical Review B

Volym

69

Dokumenttyp

Artikel i tidskrift

Förlag

American Physical Society

Ämne

  • Natural Sciences
  • Condensed Matter Physics
  • Atom and Molecular Physics and Optics
  • Physical Sciences

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1550-235X