Global minima for Pd<i><sub>N</sub></i> (<i>N</i>=5-80) clusters described by Sutton-Chen potential
Haydar Arslan
article (Uluslararası, Hakemli) | Yazar(lar): Haydar Arslan | Yıl: 2007 | Dergi/Kurum: INTERNATIONAL JOURNAL OF MODERN PHYSICS C | İndeks: WOS.SCI | Anahtar Kelimeler: palladium clusters, global optimization, Monte Carlo — Özet: The structure and energetics of Pd-N (N = 5-80) clusters have been studied extensively by a
The structure and energetics of Pd-N (N = 5-80) clusters have been studied extensively by a Monte Carlo method based on Sutton-Chen many-body potential. The basin-hopping algorithm is used to find the low-energy minima on the potential energy surface for each nuclearity. A variety of structure types (icosahedral, decahedral and fcc closed-packed) are observed for Pd clusters. Some of the icosahedral global minima do not have a central atom. The resulting structures have been compared with the previous theoretical results.