(Hyper)polarizabilities of isolated GaN nanoclusters

Linear and nonlinear polarizabilities of hydrogen-capped GaN nanoclusters have been calculated by ab initio time-dependent Hartree-Fock method. The linear polarizability values increase with the size of the cluster. The first-hyperpolarizability, while also increasing with the cluster-size, exhibits strong dependence on the shape (geometry) of the cluster.