Theoretical Study of the Structure and Energetics of Silver Clusters

• DOI: 10.1021/jp0717342
• Publication Date: 2007-08-03T12:00:58Z
• Authors: Denitsa Alamanova; Valeri G. Grigoryan; Michael Springborg
• Keywords: Energetics; Similarity (geometry)

Using four different model potentials for silver, we have calculated the structural and energetic properties of three energetically lowest isomers AgN clusters. With two versions Gupta potential, considered N up to 150, whereas clusters with 60 were studied embedded-atom potentials. The results are compared more accurate theoretical small experimental trapped ion electron diffraction data. It is found that lead related patterns, but structures differ in details. In particular, tend prefer a decahedral growth, experiment suggests icosahedral growth. Moreover, comparison other metal made, too. Here, significant differences gold found, largest similarity when comparing copper Clusters nickel seem be less similar than gold. To quantify these comparisons, various specifically developed descriptors applied.