Abstract
Core-energy shifts and crystal-field splittings of the Al(001)- 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 -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 state in the surface layer. Thus these theoretical results emphasize that both effects are important for a proper analysis of experimental data.
- Received 26 May 1981
DOI:https://doi.org/10.1103/PhysRevB.24.2292
©1981 American Physical Society