LCAO-Xα-Force Study on Stable Structures of Si_6 and Si_<10> Clusters

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概要

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• Stable structures of the Si. and the Si.. microclusters have been calculated usingLCAO-Xcc-force method. The calculated structures of the Si. and the Si.. clustersresemble a regular octahedron and a tetrahedron, respectively. In both clusters,triangles constituted of the (Ill)-surface atoms of the crystalline silicon contract by20%. in length compared to those of the crystal. This contraction is attributed to theinteraction between dangling bonds and important for silicon microclusters of anysize.

• 社団法人日本物理学会の論文
• 1986-06-15

著者

• Sugano Satoru

  Institute For Solid Physics University Of Tokyo

• SATOKO Chikatoshi

  Institute for Molecular Science

• Satoko C

  Nihon Univ. Tokyo

• SAITO Susumu

  NEC Corporation Fundamental Research Laboratories,Miyazaki

• OHNISHI Shuhei

  NEC Corporation Fundamental Research Laboratories,Miyazaki

• Ohnishi Shuhei

  Nec Corporation Fundamental Research Laboratories Miyazaki

• Saito Susumu

  Nec Corporation Fundamental Research Laboratories Miyazaki:institute For Solid State Physics University Of Tokyo

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