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Information × Registration Number 2115U001075, Article popup.category Стаття Title popup.author popup.publication 01-01-2015 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/39055 popup.publisher Sumy State University 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. popup.nrat_date 2025-03-24 Close