Abstract
Using a tight-binding molecular-dynamics method, optimized structures of icosahedral and cuboctahedral Cu N (N= 55, 147, and 309) are obtained. By comparing the total-energies of these optimized copper clusters, it is shown that icosahedral copper clsuters are more stable. The cluster size dependence of the interatomic distances agrees well with the results of EXAFS experiments. 3d-band evolution from Cu 55 to fcc bulk copper is also discussed in the light of previously reported ultraviolet photoelectron spectra.
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.
