Abstract
The production of an exceptionally abundant and stable intermetallic cluster Na6Pb has recently been reported. In an attempt to understand why this particular cluster appears so prominently in the experiments, we have performed ab initio total energy calculations on the clusters NanPb with n=3–8. The lowest energy structures and the evaporation energies for these clusters were determined. The energy to evaporate a Na atom from the octahedral cluster Na6Pb was found to be 1.58 eV, larger than that for bigger clusters. We propose that the high abundance of the Na6Pb cluster results from a cascade of evaporations from larger clusters which becomes blocked at Na6Pb because of the large evaporation energy. We also found that the cluster Na4Pb was particularly stable, and suggest how the relative stability of this cluster and Na6Pb might be related to the possible formation of complexes in Na–Pb liquid alloys.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
