Bulklike structures for medium-sized Al-n (n=31-40) clusters

TitleBulklike structures for medium-sized Al-n (n=31-40) clusters
Publication TypeJournal Article
Year of Publication2009
AuthorsZhang W, Lu WC, Zang QJ, Wang CZ, Ho KM
Journal TitleJournal of Chemical Physics
Date Published04/14
ISBN Number0021-9606
Accession NumberISI:000265617200039
Keywordsal-77, aluminium, binding, density functional theory, dynamics, electronic-structure, evolution, genetic algorithms, metal clusters, photoelectron-spectroscopy, small aluminum clusters, stacking faults, tight-binding calculations

Neutral aluminum clusters Al-n (n=31-40) were studied using a genetic algorithm (GA)/tight-binding (TB) search combined with DFT-PBE calculations. It is found that the medium-sized aluminum clusters Al-31 to Al-40 exhibit a bulklike stacking pattern. Anion clusters were also studied.

URL<Go to ISI>://000265617200039