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Structures And Dynamics Of Small Alkali-Halide Clusters

Author

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  • V.K.W. CHENG

    (Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong, China)

  • J.P. ROSE

    (Department of Chemistry and the James Franck Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, USA)

  • R.S. BERRY

    (Department of Chemistry and the James Franck Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, USA)

Abstract

The structure and phase behavior of small alkali-halide clusters were studied by constant-energy molecular dynamics and optimization. Premelting was found for(KCl)n,n=6, 9, 12. A correlation of the energy of a number of alkali-halide clusters and their relative ionic radius was made to establish the condition for the preference of a given type of isomers as the more stable form. The isomerization dynamics of large ring-like LiBr, i.e., folding of larger rings to smaller ones with cube-like or close-packed structure, is consistent with the correlation.

Suggested Citation

  • V.K.W. Cheng & J.P. Rose & R.S. Berry, 1996. "Structures And Dynamics Of Small Alkali-Halide Clusters," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 3(01), pages 347-351.
    • Handle: RePEc:wsi:srlxxx:v:03:y:1996:i:01:n:s0218625x96000632
    DOI: 10.1142/S0218625X96000632
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