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.