Ab initio Molecular Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au${}_{19}$ and Au${}_{20}$ Clusters

Sailaja Krishnamurty, Ghazal Shafai, D. G. Kanhere +2

Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au${}_{19}$ and Au${}_{20}$ clusters. Au${}_{20}$ has been report…