Using a reparameterized tight binding model the symmetry resolved charge densities of electronic surface-state bands for the (101̄0) and (112̄0) cleavage faces of CdSe are calculated and compared with photoelectron spectroscopy measurements. This comparison reveals that using the relaxed surface atomic geometries predicted by the model the calculations describe the angle-resolved and angle-integrated spectra semiquantitatively for both surfaces, thereby confirming explicitly the electronic-surface-state mechanism for the reconstructions of the cleavage surfaces of wurtzite structure materials.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry