Evolution of the structural stability of large Cu,Ni, Pd,and Ag clusters with size: An analysis within the embedded atom method期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Evolution of the structural stability of large Cu,Ni, Pd,and Ag clusters with size: An analysis within the embedded atom method

Authors:	J. M. Montejano-Carrizales M. P. Iñiguez J. A. Alonso

Affiliation:	(1) Departamento de Fisica Teórica, Universidad de Valladolid, E 47011 Valladolid, Spain;(2) Present address: Instituto de Fisica M. Sandoval Vallarta, Universidad Autónoma de San Luis Potosi, San Luis Potosi, México

Abstract:	A study of the structural stability of clusters made up of a single component has been carried out within the Embedded Atom Method. Perfect icosahedral and cuboctahedral Cu, Ni, Pd, and Ag clusters with up to 5083 atoms have been compared. The icosahedron is found to be the stable structure for small clusters, and a change of structure from icosahedral to cuboctahedral is found as the cluster size increases. A contraction of the interatomic distances results when the cluster size decreases.

Keywords:	Embedded atom method large clusters binding energy calculations
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