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Electronic and Structural Theory of Group-IV Microclusters

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Microclusters

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 4))

Abstract

The non-spherical model-potential study on group-IV, sp3-hybridized micro-clusters has revealed that there are two different series for sp3 clusters, crystalline series and amorphous series. Starting from the model potential structures, we have investigated electronic states of several typical silicon clusters based on the Bond-Orbital Model and the LCAO-Xα method. The Bond-Orbital-Model study shows that surface-dangling-bond states concentrate on the Fermi level in every cluster. This may cause the reconstructions of the silicon clusters from the sp3 structures. LCAO-Xα Of-force calculations on Si5 and Si10 of crystalline series have shown the presence of the common reconstruction mechanism named “triangle contruction.” On the other hand, the structural deviations of Si5 and Si20 of amorphous series are found to be small as long as their symmetries are conserved.

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Author information

Authors and Affiliations

  1. Fundamental Research Laboratories, NEC Corporation, Miyazaki 4-1-1, Miyamae-ku, Kawasaki 213, Japan

    S. Saito & S. Ohnishi

Authors
  1. S. Saito
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  2. S. Ohnishi
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Editor information

Editors and Affiliations

  1. Institute for Solid State Physics, The University of Tokyo, 7-22-1 Roppongi, Minato-ku, Tokyo 106, Japan

    Satoru Sugano

  2. The Research Institute of Iron, Steel and Other Metals, Tohoku University, Katahira, Sendai 980, Japan

    Yuichiro Nishina

  3. Fundamental Research Labs., NEC Corp., 1-1 Miyazaki 4, Miyamae-ku, Kawasaki, Kanagawa 213, Japan

    Shuhei Ohnishi

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© 1987 Springer-Verlag Berlin Heidelberg

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Saito, S., Ohnishi, S. (1987). Electronic and Structural Theory of Group-IV Microclusters. In: Sugano, S., Nishina, Y., Ohnishi, S. (eds) Microclusters. Springer Series in Materials Science, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-83064-8_34

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  • DOI: https://doi.org/10.1007/978-3-642-83064-8_34

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-83066-2

  • Online ISBN: 978-3-642-83064-8

  • eBook Packages: Springer Book Archive

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