A genetic algorithm study on the most stable disordered and ordered configurations of Au38–55

Abstract We used the genetic algorithm, with a Gupta n -body potential, to study structures of the ground states and near ground ordered states of medium-sized Au n ( n from 38 to 55) clusters. It is found that the most stable configurations are mainly disordered with the ordered isomers very close in energy to the ground state. The lowest-lying ordered structure changes from close packed mode to icosahedron-like structure with increasing cluster size. A common neighbor analysis (CNA) was applied to demonstrate the structural evolvement.

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