Structure and Charge States of the Selected Hydrogenated Silicon Clusters Si2-Si8 by Non-Conventional Tight-Binding Method

Authors A.P. Mukhtarov , A.B. Normurodov , N.T. Sulaymonov , F.T. Umarova , Sh. Makhkamov

Institute of Nuclear Physics, 100214 Tashkent, Uzbekistan

Issue Volume 8, Year 2016, Number 2
Dates Received 09 February 2016; published online 21 June 2016
Citation A.P. Mukhtarov, A.B. Normurodov, N.T. Sulaymonov, et al., J. Nano- Electron. Phys. 8 No 2, 02009 (2016)
DOI 10.21272/jnep.8(2).02009
PACS Number(s) 36.40.Mr, 61.46.Bc
Keywords Nanosilicon (2) , Tight-binding method (2) , Charged silicon clusters, Hydrogenated nanoparticles.
Annotation Structures of SinHm clusters in neutral, positive and double positive charge states have been calculated by nonconventional tight-binding method and molecular dynamics. An influence of the charge state and the termination by hydrogen of dangling bonds on cluster structures those are obtained as a result of chemical vapor precipitation in silane, is considered for the first time. Fully hydrogenated clusters have tetrahedral branched structures. Other isomers have forms of closed circles.

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