Ab-initio Vibrational Dynamics Study of Silver nanoclusters

The size dependent structural, electronic and vibrational properties of silver metal clusters along with its bulk counterparts have been studied using the first principles calculations within density functional theory. The size effect was studied by calculating a series of clusters discussed in terms of the increase in band gap when going from the bulk to cluster. The phonon calculations show that the clusters with smaller size are dynamically stable. Our findings will give some reference to the insight understanding of the electronic and vibrational properties of size orientation dependent Ag metal cluster.