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The structure of small lead clusters

Abstract:
We have located the global minimum for all lead clusters with up to 160 atoms using a glue potential to model the interatomic interactions. The lowest-energy structures are not face-centred cubic as suggested previously. Rather, for N<40 the majority of structures are decahedral or hexagonal close-packed, and beyond this size the structures do not correspond to any of the structural forms commonly found in clusters. However, these latter clusters are not simply disordered. High symmetry, magic number clusters are still present, the most prominent of which is the 148-atom D3d hexagonal barrel. We relate these structural preferences back to the form of the interactions.
Publication status:
Published
Peer review status:
Peer reviewed

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Files:
Publisher copy:
10.1140/epjd/e2002-00232-x

Authors

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author


Publisher:
EDP Sciences, Springer-Verlag, Società Italiana di Fisica
Journal:
European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics More from this journal
Volume:
22
Issue:
1
Pages:
99-107
Publication date:
2002-07-17
DOI:
EISSN:
1434-6079
ISSN:
1434-6060


Language:
English
Keywords:
Pubs id:
pubs:38526
UUID:
uuid:ed76b3ab-1d81-4464-9d1e-d31711430e7a
Local pid:
pubs:38526
Source identifiers:
38526
Deposit date:
2013-03-20
ARK identifier:

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