The Theoretical and Computational Chemistry Program in the Chemistry Division is sponsoring research by Professor Jelski into the nature of silicon, germanium, and carbon clusters surrounded by other media. Prediction of electronic structure, and properties of the clusters embedded in bulk material simulates realistic experimental situations. The work makes use of an Extended Huckel tight-binding model. Parameterization of the method by ab initio techniques will permit the method to be extended to germanium. The work involves close collaboration with the research group of Dr. Rantala in Oulu, Finland. %%% A very active field of current research, both experimental and theoretical, deals with small clusters of atoms which have properties and behavior linking gas-phase molecules, for which very extensive knowledge is available, to the much more difficult problem of condensed phase matter. There are also potential significance in the production of extremely small electronic devices. Professor Jelski is using a semi-empirical method to study clusters of silicon, germanium, or carbon atoms in contact with other media, a realistic situation for practical devices.
