Tight-binding molecular-dynamics study of copper clusters

Akito Taneda, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

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
Volume40
Issue number11
DOIs
Publication statusPublished - 1999 Jan 1

ASJC Scopus subject areas

  • Engineering(all)

Fingerprint Dive into the research topics of 'Tight-binding molecular-dynamics study of copper clusters'. Together they form a unique fingerprint.

Cite this