Instability of cuboctahedral copper clusters
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||4|
|Journal||Physical Review B|
|Publication status||Published - 1 Jan 1992|
|Publication type||Not Eligible|
Equilibrium structures of copper clusters up to 10 000 atoms are studied using molecular-dynamics and effective-medium theory. Icosahedral closed-shell clusters are most stable up to 2500 atoms and the Wulff polyhedra are favored for larger clusters. Cuboctahedral closed-shell clusters up to 2000 atoms are unstable. They undergo a nondiffusive transition to an icosahedral structure at low temperatures and melt directly above the fcc-cluster-melting temperature. The melting temperature decreases with decreasing cluster size but not as deeply as has been reported for pure metals.