engleski

Confined electronic states in thin films of Ag on V(100) surfaces and their role in ARPES and STM experiments

We have performed density functional (DFT) calculations for 1 to 5 monolayers films of Ag on V substrate, modelled by a film of seven layers. We have then made additional analysis of the Kohn-Sham eigenfunctions obtained in the process, in particular concerning their symmetries and localization within the Ag films. We have calculated the fraction of the wavefunction of various states which is localized on the silver atoms, for 1 and 2 ML films. Due to easiness of probing empty states in STM experiments we have made calculations for energies of 1 eV above and beneath the Fermi level keeping in mind that empty states in DFT calculations may be somewhat ambiguous. In comparison with photoemission and STM experiments, we have found within our DFT calculations very good agreement with experimental results.

density functional calculations; Ag films; vanadium; quantum well states

nije evidentirano