Electronic-structure-induced deformations of liquid metal clusters.
/ Abstract
Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures 500··· 1100 K. Open-shell Na14 cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na8 remains magic also at the liquid state.
Journal: Physical review. B, Condensed matter