Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method

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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
License	Copyright not evaluated
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)