Experimental and theoretical studies of interactions between Si₇ clusters

Abstract.

The possibility of using magic Si₇ clusters to form a cluster material was studied experimentally and theoretically. In experiments Si₇ clusters were deposited on carbon surfaces, and the electronic structure and chemical properties of the deposited clusters were measured using X-ray photoelectron spectroscopy (XPS). A non bulk-like electronic structure of Si₇ was found in the Si 2p core level spectra. Si₇ is suggested to form a more stable structure than the non-magic Si₈ cluster and Si atoms upon deposition on carbon surfaces. Theoretically it was possible to study the interaction between the clusters without the effect of a surface. Density functional theory (DFT) calculations of potential curves of two free Si₇ clusters approaching each other in various orientations hint at the formation of cluster materials rather than the fusion of clusters forming bulk-like structures.