منابع مشابه
Energetically Competitive Growth Patterns of Silicon Clusters: Quasi-one-dimensional Clusters versus Diamond-like Clusters
Silicon clusters with a diamond-like core and energetically competitive non-diamond clusters were comparatively studied using the nonconventional tight-binding molecular dynamics simulation method. Non-diamond clusters were constructed according to a quasi-onedimensional pentagon-based regular growth pattern. A non-trivial competition between surface and core reconstructions in the clusters, in...
متن کاملStructures of Silicon Clusters
We determined the structures of silicon clusters in the 11-14 atom size range using the tight-binding molecular dynamics method. These calculations reveal that Si11 is an icosahedron with one missing cap, Si12 is a complete icosahedron, Si13 is a surface capped icosahedron, and Si14 is a 4-4-4 layer structure with two caps. The characteristic feature of these clusters is that they are all surfa...
متن کاملStructures of Germanium Clusters: Where the Growth Patterns of Silicon and Germanium Clusters Diverge
We have performed a systematic ground state geometry search for Gen neutrals and cations in the n # 16 size range using density functional theory–local density approximation and gradient-corrected methods. Like their silicon analogs, medium-sized Ge clusters are stacks of tricapped trigonal prism subunits. However, the structures of Gen and Sin for n 13 and n $ 15 differ in details. The onset o...
متن کاملStructures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20.
It has been established from experiments that stable medium-sized ionic clusters Si15-Si20 are prolate in shape. Density-functional theories (DFTs) also predict that nearly all low-lying neutral clusters in this size range are prolate in shape. Moreover, most of them are built onto two generic structural motifs, either the tricapped-trigonal-prism (TTP) Si9 motif or the six/six Si6Si6 (sixfold-...
متن کاملMagic numbers of silicon clusters.
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like surface. Reconstruction of the ideal fullerene geometry results in the formation of crown atoms surrounded by π-bonded dimer pairs. This model yields unique struct...
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ژورنال
عنوان ژورنال: Modern Physics Letters B
سال: 1995
ISSN: 0217-9849,1793-6640
DOI: 10.1142/s0217984995000759