ISSN:
1434-6079
Keywords:
36.40
;
31.20
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract We propose the “triangle contraction” as an important reconstruction mechanism of six-membered-ring silicon clusters on the basis of the force and virial analysis for Si6, Si10, Si14, Si18, Si22, and Si26 clusters. Forces acting on atoms have been calculated using the local-density-functional scheme with linear-combination-of-atomic-orbitals-Xα method. Calculated forces show that most of the (111)-surface equilateral triangles have tendency to contract, indicating the generality of the triangle-contraction mechanism.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01437324
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