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Surface-reconstructed Icosahedral Structures for Lead Clusters

Abstract:

We describe a new family of icosahedral structures for lead clusters. In general, structures in this family contain a Mackay icosahedral core with a reconstructed two-shell outer-layer. This family includes the anti-Mackay icosahedra, which have have a Mackay icosahedral core but with most of the surface atoms in hexagonal close-packed positions. Using a many-body glue potential for lead, we identify two icosahedral structures in this family which have the lowest energies of any known structu...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1103/PhysRevB.66.235402

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
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Name:
Royal Society
Funding agency for:
Doye, J
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Name:
Royal Society of New Zealand
Publisher:
American Physical Society
Journal:
Physical Review B More from this journal
Volume:
66
Issue:
23
Pages:
235402
Publication date:
2002-07-01
DOI:
EISSN:
1095-3795
ISSN:
1098-0121
Keywords:
Pubs id:
pubs:38545
UUID:
uuid:23a1ef67-dee5-437f-845d-23c004bf1b09
Local pid:
pubs:38545
Source identifiers:
38545
Deposit date:
2013-03-20

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