Energy and Structure of Copper Clusters(n=2-70,147,500) Studied by the Monte Carlo Method
The Monte Carlo(MC) and Embedded-Atoms Method(EAM) potential are employed to investigate the structures and binding energies of copper clusters. Three results are obtained: first, the copper clusters are formed by gradually increasing atoms to icosahedral surface when the temperature is 300K and the number of atoms is from 2 to 70; second, the higher the symmetries are, the more stable the structures of copper clusters are; third, copper clusters tend to be stereo construction but not planer construction when the number of atoms is less. The structure of Cu147 is three-fly-icosahedron when the system of 147 atoms reached equilibrium at 300K. And at 700K, all 500 atoms form clusters in gas phase.
Chunli BAI, Sishen XIE, Xing ZHU
M. L. Zhang and G. P. Li, "Energy and Structure of Copper Clusters(n=2-70,147,500) Studied by the Monte Carlo Method", Solid State Phenomena, Vols. 121-123, pp. 607-610, 2007