2006•Journal of Atomic and Molecular PhysicsRequires access

Equilibrium geometries of AgBr and AgI clusters

Yin Yue-hong

Abstract

The equilibrium geometries of(AgX)_n(X=Br,I,n≤15) clusters are studied by using an empirical pair potential and Genetic algorithm.The calculation shows that the stable structures of(AgBr)_n clusters are generally close packed;and the stable structures of(AgI)_n clusters are mainly cage structures composed of four-and six-rings.The results reflect that the chemical bond in(AgBr)_n clusters is strong ionic and the bond in(AgI)_n clusters is covalent bond with ionic character.The structures of(AgBr)_n(n=4,6,10) and(AgI)_n(n=6,8,11) are specially stable.

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Key concepts: Ionic bonding, Covalent bond, Crystallography, Chemistry, Chemical physics, Chemical bond, Cluster (spacecraft), Character (mathematics)