Quantum-size effects in ultrathin Ag films on V(001):: Electronic structure and photoelectron spectroscopy -: art. no. 165435

First-principles calculations are performed to investigate in detail the electronic structure of ultrathin Ag films deposited on V(001). Quantum-well states in the Ag films show the typical dispersion with film thickness, but their spectral densities differ significantly from those of model systems. Ab initio calculations for several systems (bulk, surfaces, interfaces, and thin films) reveal as origins band-structure effects and hybridization between Ag and V states. Quantization effects show up as intensity oscillations in the constant-initial-state mode of photoelectron spectroscopy. Earlier experimental investigations, which reported inconsistencies with typical manifestations of quantization effects, are discussed.