Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9594809 | Surface Science | 2005 | 5 Pages |
Abstract
In this work we investigate the vibrational properties of atomic oxygen on Ag(2 1 0) in a mixed on-surface + sub-surface adsorption configuration using density-functional perturbation theory. In particular, we consider a geometry in which oxygen decorates the steps and an additional O species is located in an octahedral sub-surface site just below an Ag step atom. This structure presents a mode at 55 meV due to the coupled vibration of on-surface and sub-surface O species, which is close to that observed in HREEL spectra.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Nicola Bonini, Andrea Dal Corso, Anton Kokalj, Stefano de Gironcoli, Stefano Baroni,