Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method
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...
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| Format: | Article |
| Language: | English |
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Sumy State University
2015-03-01
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| Series: | Журнал нано- та електронної фізики |
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| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2015/1/articles/jnep_2015_V7_01012.pdf |
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| author | A.P. Mukhtarov A.B. Normurodov N.T. Sulaymonov F.T. Umarova |
| author_facet | A.P. Mukhtarov A.B. Normurodov N.T. Sulaymonov F.T. Umarova |
| author_sort | A.P. Mukhtarov |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-b0c6ebf00a4b4fb7854b23a3b6864d9c |
| institution | DOAJ |
| issn | 2077-6772 |
| language | English |
| publishDate | 2015-03-01 |
| publisher | Sumy State University |
| record_format | Article |
| series | Журнал нано- та електронної фізики |
| spelling | doaj-art-b0c6ebf00a4b4fb7854b23a3b6864d9c2025-08-20T03:04:34ZengSumy State UniversityЖурнал нано- та електронної фізики2077-67722015-03-017101012-101012-7Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding MethodA.P. Mukhtarov0A.B. Normurodov1N.T. Sulaymonov2F.T. Umarova3Institute of Nuclear Physics, 100214 Tashkent, UzbekistanInstitute of Nuclear Physics, 100214 Tashkent, UzbekistanInstitute of Nuclear Physics, 100214 Tashkent, UzbekistanInstitute of Nuclear Physics, 100214 Tashkent, UzbekistanA 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.http://jnep.sumdu.edu.ua/download/numbers/2015/1/articles/jnep_2015_V7_01012.pdfSilicon clusterNon-conventional tight-binding methodCohesion energ |
| spellingShingle | A.P. Mukhtarov A.B. Normurodov N.T. Sulaymonov F.T. Umarova Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method Журнал нано- та електронної фізики Silicon cluster Non-conventional tight-binding method Cohesion energ |
| title | Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method |
| title_full | Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method |
| title_fullStr | Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method |
| title_full_unstemmed | Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method |
| title_short | Charge States of Bare Silicon Clusters up to Si8 by Non-Conventional Tight-Binding Method |
| title_sort | charge states of bare silicon clusters up to si8 by non conventional tight binding method |
| topic | Silicon cluster Non-conventional tight-binding method Cohesion energ |
| url | http://jnep.sumdu.edu.ua/download/numbers/2015/1/articles/jnep_2015_V7_01012.pdf |
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