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

E. Wimmer, M. Weinert, Arthur J Freeman, H. Krakauer

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

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
Pages (from-to)2292-2294
Number of pages3
JournalPhysical Review B
Volume24
Issue number4
DOIs
Publication statusPublished - 1981

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Core levels
crystal field theory
Crystals
shift
Binding energy
Electronic structure
surface layers
slabs
plane waves
binding energy
electronic structure
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Theoretical 2p-core-level shift and crystal-field splitting at the Al(001) surface. / Wimmer, E.; Weinert, M.; Freeman, Arthur J; Krakauer, H.

In: Physical Review B, Vol. 24, No. 4, 1981, p. 2292-2294.

Research output: Contribution to journalArticle

Wimmer, E. ; Weinert, M. ; Freeman, Arthur J ; Krakauer, H. / Theoretical 2p-core-level shift and crystal-field splitting at the Al(001) surface. In: Physical Review B. 1981 ; Vol. 24, No. 4. pp. 2292-2294.
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