Size-dependent fivefold and icosahedral symmetry in silver clusters

Autor: Michael M. Burns, Karo Michaelian, Joel H. Parks, Ignacio L. Garzón, Ryan M. Danell, Xiaopeng Xing, Martine N. Blom
Rok vydání: 2005
Předmět:
Zdroj: Physical Review B. 72
ISSN: 1550-235X
1098-0121
DOI: 10.1103/physrevb.72.081405
Popis: Trapped ion electron diffraction measurements on silver cluster cations, $\mathrm{Ag}_{n}{}^{+}$ for sizes $n=36--46,55$ at $\ensuremath{\sim}120\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ describe an evolution in structural symmetry with increasing cluster size. Diffraction patterns characterize fivefold symmetry at smaller sizes which evolves to icosahedral symmetry at $n=55$. Low energy isomer structures were identified by statistical search methods and optimized by density-functional calculations. Comparison of diffraction data with these theoretical structures confirms the presence of local order having fivefold symmetry for sizes $n=36--39,43$ and global order having icosahedral symmetry at the closed shell size $n=55$.
Databáze: OpenAIRE