Experimental and theoretical studies of the structure of alkali halide clusters

We have investigated the structures and properties of alkali halide cluster ions produced by laser vaporization of solid samples. In many alkali halide cluster ions, we observe the appearances of bulk-like characteristics even at sub-nanometer sizes:fcc crystalline structures (including surface terraces), ionic binding, and a susceptibility to common bulk defects such as F and H color-centers. To understand the origins of cluster structures, we have made calculations of ground state energetics, high-temperature molecular dynamics, and the electronic structure of clusters having excess electrons.