2004•Chinese journal of atomic and molecular physicsRequires access
Structures of ground-states of cluster Cu_(13-n)Ag_n(n≤13) studied by genetic algorithm
Cai‐Rong Zhang, Hongshan Chen
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Abstract
The structures and stabilities of the ground-states for Cu_(13-n)Ag_n clusters have been studied by Gupta model potential based on tight binding second moment approximation in combination with a genetic algorithm. It is found that the lowest energy structures of the pure clusters (n=0,13) are perfect icosahedron, and the structures for the bimetallic clusters (n=1～10) have stable structure which are slightly deformed with respect to the perfect icosahedron, The Cu atom prefers to occupy the center of the clusters with higher coordination numbers. With increasing the number of Ag atoms, the average distance between the closest atoms in the Cu_(13-n)Ag_n clusters increased monotonously, and the average binding energy of the ground-states decreased monotonously.