Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method
| Authors | A.P. Mukhtarov , A.B. Normurodov , N.T. Sulaymonov , F.T. Umarova |
| Affiliations | Institute of Nuclear Physics, 100214 Tashkent, Uzbekistan |
| Е-mail | |
| Issue | Volume 7, Year 2015, Number 1 |
| Dates | Received 03 December 2014; published online 25 March 2015 |
| Citation | A.P. Mukhtarov, A.B. Normurodov, N.T. Sulaymonov, F.T. Umarova, J. Nano- Electron. Phys. 7 No 1, 01012 (2015) |
| DOI | |
| PACS Number(s) | 36.40. – c, 31.10. + z |
| Keywords | Silicon cluster (2) , Non-conventional tight-binding method, Cohesion energy. |
| Annotation | 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. |
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List of References |
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