Abstract:Stability and charge states of vacancy in Si29 and Si38 clusters have been calculated by non-conventional tight-binding method and molecular dynamics. Based on the theoretical calculations, it was shown that the vacancy in pure dimerized clusters is unstable, while in hydrogenated Si29H24 and Si38H30 clusters it is stable, but leads to a distortion of its central part with the transition of symmetry from Td to C3v and a change in the forbidden gap. The charges of cluster atoms in the presence of a vacancy are … Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.