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Title Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method
Authors Mukhtarov, A.P.
Normurodov, A.B.
Sulaymonov, N.T.
Umarova, F.T.
ORCID
Keywords Silicon cluster
Non-conventional tight-binding method
Cohesion energy
Type Article
Date of Issue 2015
URI http://essuir.sumdu.edu.ua/handle/123456789/39055
Publisher Sumy State University
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Citation A.P. Mukhtarov, A.B. Normurodov, N.T. Sulaymonov, F.T. Umarova, J. Nano- Electron. Phys. 7 No 1, 01012 (2015)
Abstract A recently developed non-conventional tight-binding method was applied in combination with molecular dynamics to compute the geometric structures and cohesion energies of small stable pure Si clusters containing from 3 to 8 atoms, in neutral, positive and negative charge states. The influence of the charge state on the cluster configuration and cohesion energy is considered. The Anderson U(-) effect is observed in Si3-Si5 clusters. Doubly positively charged states are found to be the most energetically stable form for all clusters considered. The results computed with this semi-empirical approach are compared to predictions from state-of-the-art ab initio methods.
Appears in Collections: Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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