The electronic viewpoint on the morphology of the microclusters

Although the five-fold symmetry conflicts with the crystalline long range order, it can appear in some finite systems. In order to search for such possibility in the microclusters in the small size limit and to clarify the roles of the electrons in the morphology, the electronic states are studied in the tight binding scheme. The single electron spectra coming from thes- andp-atomic orbitals are derived for three types of the 13-atom clusters; with the fcc-like configuration, the hcp-like and the icosahedral. If the transfer integral between two surface atoms is put equal to that between the central and a surface atom in the icosahedral case, this configuration has the lowest total electronic energy in many cases studied, but not always. The fact that a surface atom has larger number of neighbours in the icosahedral configuration is surely of great advantage. It, however, is not almighty in the quantum case.On leave from Department of Physics, Faculty of Science, Kyoto University, Kyoto 606, Japan. A part of this work was done there