Theoretical 2p-core-level shift and crystal-field splitting at the Al(001) surface

E. Wimmer*, M. Weinert, A. J. Freeman, H. Krakauer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations


Core-energy shifts and crystal-field splittings of the Al(001)-2p levels are determined theoretically using our recently developed full-potential self-consistent linearized-augmented-plane-wave (FLAPW) method. From the electronic structure of a nine-layer Al(001) single slab, we find a 2p-core-level shift of 120 meV to reduced binding energies for the surface and 50 meV for the subsurface layers and a crystal-field splitting of 38 meV for the 2p32 state in the surface layer. Thus these theoretical results emphasize that both effects are important for a proper analysis of experimental data.

Original languageEnglish (US)
Pages (from-to)2292-2294
Number of pages3
JournalPhysical Review B
Issue number4
StatePublished - 1981

ASJC Scopus subject areas

  • Condensed Matter Physics


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