Ab initio density-functional studies of 13-atom Cu and Ag clusters

  title={Ab initio density-functional studies of 13-atom Cu and Ag clusters},
  author={Dil Limbu and Michael U. Madueke and Raymond Atta-Fynn and David Alan Drabold and Parthapratim Biswas},
  journal={Journal of Physics: Conference Series},
The putative ground-state structures of 13-atom Cu and Ag clusters have been studied using ${\it ab \: initio}$ molecular-dynamics (AIMD) simulations based on the density-functional theory (DFT). An ensemble of low-energy configurations, collected along the AIMD trajectory and optimized to nearest local minimum-energy configurations, were studied. An analysis of the results indicates the existence of low-symmetric bilayer structures as strong candidates for the putative ground-state structure… 
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