Optical properties of small silver clusters supported at MgO
We present structural and optical properties of silver clusters Agn (n=2, 4, 6, 8) at two model support sites of MgO, stoichiometric MgO(100) and FS-center defect, based on density functional theory and embedded cluster model. Our results provide the mechanism responsible for the absorption and emission patterns due to the specific interaction between the excitations within the cluster and the support site which is strongly cluster size and structure dependent. We propose Ag4 at stoichiometric site as well as Ag2, Ag4 and Ag6 at FS-center defects as good candidates for the emissive centers in the visible regime.
PACS.31.15.Qg Molecular dynamics and other numerical methods 31.15.Ar Ab initio calculations
Unable to display preview. Download preview PDF.