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Tight binding molecular dynamics studies of GamAsn and AlmAsn clusters

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

The parametrized tight binding molecular dynamics method is used to study the structures and properties of small GaAs and AlAs clusters. Relative stabilities and ground state properties of GaAs clusters consisting of up to 4 atoms agree with those obtained in previous studies. Similar properties are found for small AlAs clusters. The present study of microclusters of both GaAs and AlAs revealed that the icosahedral structure is unstable for the binary clusters. Stability of such clusters increases monatomically as a function of As to Ga or As to Al ratio.

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Authors and Affiliations

  1. Department of Physics, National University of Singapore, Singapore, 119260, Singapore

    H. K. Quek, Y. P. Feng & C. K. Ong

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  1. H. K. Quek
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  2. Y. P. Feng
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  3. C. K. Ong
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Quek, H.K., Feng, Y.P. & Ong, C.K. Tight binding molecular dynamics studies of GamAsn and AlmAsn clusters. Z Phys D - Atoms, Molecules and Clusters 42, 309–317 (1997). https://doi.org/10.1007/s004600050373

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  • DOI: https://doi.org/10.1007/s004600050373

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