LCAO-Xα-Force Study on Stable Structures of Si6 and Si10 Clusters
作者： Susumu Saito , Shuhei Ohnishi , Chikatoshi Satoko , Satoru Sugano
DOI: 10.1143/JPSJ.55.1791
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摘要: Stable structures of the Si 6 and 10 microclusters have been calculated using LCAO-Xα-force method. The clusters resemble a regular octahedron tetrahedron, respectively. In both clusters, triangles constituted (111)-surface atoms crystalline silicon contract by 20% in length compared to those crystal. This contraction is attributed interaction between dangling bonds important for any size.
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