Electronic states and stability of selenium clusters

Electronic structures and stability of Sen (n=3,4,5,6,7,8) clusters have been studied by using the discrete variational method in the framework of the local-density approximation. Binding energy, ionization potential, affinity energy, and other electronic properties using the structure models of Hohl et al. [Chem. Phys. Lett. 139, 540 (1987)] are presented and compared with the available experiments. In addition, a rectangular lattice arrangement of selenium clusters has been fabricated on highly oriented pyrolytic graphite, and examined by the scanning tunnel microscope image which was found to consist of a 0.72×0.85 nm2 lattice spacing with individual molecules of 0.53±0.05 nm in diameter. Theoretical calculations reproduce well the experimental observations.