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Phys. Rev. Lett. 76, 1083–1086 (1996)

No Evidence for Size-Dependent Icosahedral fcc Structural Transition in Rare-Gas Clusters

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Benjamin W. van de Waal
Department of Physics, TN5238, University of Twente, P.O. Box 217, 7500AE Enschede, The Netherlands

Received 10 October 1995; published in the issue dated 12 February 1996

A structural model for a 3000-atom Ar cluster has been developed whose simulated electron-diffraction pattern is in excellent agreement with hitherto unexplained experimental results [J. Farges et al., J. Chem. Phys. 59, 3454 (1973)]. Although the cluster size is intermediate with respect to the icosahedral and fcc crystalline regimes, the model does not involve a structural transition. It consists of a persisting multiply twinned core with dominant fivefold symmetry, surrounded by a faulted shell with defects that stimulate 3D fcc single crystal growth and prevent hcp stacking.

© 1996 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.76.1083
DOI:
10.1103/PhysRevLett.76.1083
PACS:
61.46.+w, 68.35.Bs, 81.10.Aj