Tight-binding molecular-dynamics study of copper clusters

Akito Taneda, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


Using a tight-binding molecular-dynamics method, optimized structures of icosahedral and cuboctahedral CuN (N = 55, 147, and 309) are obtained. By comparing the total-energies of these optimized copper clusters, it is shown that icosahedral copper clusters are more stable. The cluster size dependence of the interatomic distances agrees well with the results of EXAFS experiments. 3d-band evolution from Cu55 to fcc bulk copper is also discussed in the light of previously reported ultraviolet photoelectron spectra.

Original languageEnglish
Pages (from-to)1255-1257
Number of pages3
JournalMaterials Transactions, JIM
Issue number11
Publication statusPublished - 1999

ASJC Scopus subject areas

  • Engineering(all)


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