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

Автор(ы) A.P. Mukhtarov , A.B. Normurodov , N.T. Sulaymonov , F.T. Umarova
Принадлежность

Institute of Nuclear Physics, 100214 Tashkent, Uzbekistan

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Выпуск Том 7, Год 2015, Номер 1
Даты Получено 03.12.2014, опубликовано online – 25.03.2015
Ссылка 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
Ключевые слова Silicon cluster (2) , Non-conventional tight-binding method, Cohesion energy.
Аннотация 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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