Structural Identification of Doped Silicon Clusters

In this chapter we review recent research on the structural identification of isolated doped silicon clusters by combining state-of-the-art experiments and computational modelling using the density functional theory formalism. The experimental techniques include chemical probe mass spectrometric methods, infrared action spectroscopy, photoelectron spectroscopy, and x-ray absorption spectroscopy. Coinage metal elements, transition metals with an incomplete d sub-shell, lanthanides, and non-metallic main-group elements are considered as dopant atoms. The growth mechanisms of the doped silicon clusters are described with particular emphasis on the formation of endohedral cages. Specific species that may be considered as building blocks in future nano-structured materials and devices are highlighted, thereby exploiting their unique structural, electronic, or magnetic properties.