DOI: 10.1063/1.481086. Investigation of geometric shell aluminum clusters using the Gupta many-body potential

Investigation of geometric shell aluminum clusters using the Gupta many-body potential

10.1063/1.481086

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A many-body Gupta-type potential, derived by fitting bulk experimental parameters for aluminum, has been used to study geometric shell clusters of aluminum with icosahedral, decahedral, fcc, and bcc packing. The stabilities of fcc-like octahedral clusters are compared with cuboctahedral and regularly truncated octahedral clusters. A stepwise pattern of truncation is observed and truncated octahedra are predicted to remain the preferred fcc-like structure until complete transition to the bulk fcc lattice.

Bibliography

Turner, G. W., Johnston, R. L., & Wilson, N. T. (2000). Investigation of geometric shell aluminum clusters using the Gupta many-body potential. The Journal of Chemical Physics, 112(10), 4773â4778.

Authors 3

Giles W. Turner (first)
Roy L. Johnston (additional)
Nicholas T. Wilson (additional)

References 21 Referenced 39

10.1063/1.1141022 / Rev. Sci. Instrum. (1989)
10.1016/0009-2614(92)87029-O / Chem. Phys. Lett. (1992)
10.1007/BF01426583 / Z. Phys. D: At., Mol. Clusters (1994)
10.1063/1.465235 / J. Chem. Phys. (1993)
10.1016/0370-1573(95)00083-6 / Phys. Rep. (1996)
10.1063/1.464257 / J. Chem. Phys. (1993)
10.1007/BF01425628 / Z. Phys. D: At., Mol. Clusters (1993)
{'key': '2024021014401071400_r8'}
10.1098/rsta.1998.0158 / Philos. Trans. R. Soc. London, Ser. A (1998)
10.1103/PhysRevB.48.22 / Phys. Rev. B (1993)
10.1103/PhysRevB.23.6265 / Phys. Rev. B (1981)
{'key': '2024021014401071400_r12', 'first-page': '2', 'volume': '62', 'year': '1996', 'journal-title': 'Int. J. Quantum Chem.'} / Int. J. Quantum Chem. (1996)
10.1063/1.474829 / J. Chem. Phys. (1997)
{'key': '2024021014401071400_r14'}
10.1007/BF01426907 / Z. Phys. D: At., Mol. Clusters (1989)
10.1063/1.457447 / J. Chem. Phys. (1989)
10.1006/jssc.1999.8200 / J. Solid State Chem. (1999)
{'key': '2024021014401071400_r18'}
10.1039/a807713d / Phys. Chem. Chem. Phys. (1999)
10.1016/0166-1280(95)04207-M / J. Mol. Struct.: THEOCHEM (1995)
{'key': '2024021014401071400_r21'}

Dates

Type	When
Created	23 years ago (July 26, 2002, 8:32 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 10:54 a.m.)
Indexed	3 days, 15 hours ago (Aug. 20, 2025, 8:46 a.m.)
Issued	25 years, 5 months ago (March 8, 2000)
Published	25 years, 5 months ago (March 8, 2000)
Published Print	25 years, 5 months ago (March 8, 2000)

Funders 0

None

BibTeX

@article{Turner_2000, title={Investigation of geometric shell aluminum clusters using the Gupta many-body potential}, volume={112}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.481086}, DOI={10.1063/1.481086}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Turner, Giles W. and Johnston, Roy L. and Wilson, Nicholas T.}, year={2000}, month=mar, pages={4773–4778} }

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