The energy dependence of the 4f core level photoemission intensity from Ta(100) has been modeled at low electron kinetic energies using the single scattering cluster (SSC) approximation. The results show a strikingly similar shape to that of a full multiple scattering calculation, particular at electron kinetic energies less than 75 eV. A comparison with the experimentally measured surface/bulk core level intensity oscillations indicates that the first interlayer spacing of the Ta(100) surface is contracted by 11 ± 3%, consistent with previous determinations. These results suggest that SSC calculations can model low energy photoelectron diffraction data from surface shifted core levels with sufficient accuracy to enable a quantitative structural determination of clean, unreconstructed surfaces.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry
- Photoelectron diffraction
- Semi-empirical models and model calculations