FREQUENCY-DEPENDENT POLARIZABILITY OF SMALL SILICON CLUSTERS

Abstract

Polarizability of small Si n (n = 3 to 9) clusters has been calculated using density functional theory (DFT) with Vosko–Wilk–Nusair (VWN) correlation functional. The computed values of polarizability per atom tend to decrease with increasing cluster size. Frequency-dependent polarizability of Si 3, Si 4, Si 6, and Si 9 clusters demonstrates that the polarizability increases slowly with the increase in the energy for energy values less than 1.2 eV but exhibit the same size-dependent features as the static polarizability. The first resonance energy for Si 3, Si 4, Si 6, and Si 9 clusters occur at 1.25, 1.63, 2.5, and 1.98 eV, respectively. Moreover, the anisotropic polarizability is found to be the highest for Si 9 cluster.