Genetic Algorithm Application to the Structural Properties of Si-Ge Mixed Clusters

Optimum geometries of silicon-germanium (Si-Ge) clusters are found using a single parent genetic algorithm. 100 atom and 150 atom clusters are studied with some variety of compositions and initial geometries. Total interaction energies, distances of Si and Ge atoms to the cluster centers, and average bond lengths are calculated. Si-core Ge-shell geometry is found to be favorable compared to other geometries.