The electronic structure of silver'palladium heterostructures is investigated, both experimentally and through ab-initio simulations. Synchrotron-induced photoelectron spectroscopy characterisations of the work function and the valence band structure are compared to and explained by simulations of slab and bulk heterostructures. Work functions and equilibrium geometries are shown to be in agreement with XPS, XRD, and STM measurements, and conﬁrm in particular the pseudomorphic growth of Ag on Pd. Further insight into the diﬀering behavior of the two terminating metal surfaces is extracted from the simulations.
|Number of pages||10|
|Journal||Computational Materials Science|
|Publication status||Published - 2004|
- DFT calculations; ab-initio simulations; Scanning Tunneling Microscopy; Multilayers; Superlattices; Metals; Epitaxy; Ag; Pd; electronic properties