{"title":"A theoretical study on size-dependent properties of rock-salt ZnS clusters","authors":"Sougata Pal, Biplab Goswami, P. Sarkar","doi":"10.1163/157404005776611457","DOIUrl":null,"url":null,"abstract":"We present the results of our theoretical calculation on structural, electronic and optical properties of rock-salt ZnnSn clusters as a function of size of the clusters. We have focused on the variation of Mulliken populations, electronic energy levels, band gap and stability as a function of size for rock-salt derived ZnS clusters. We have also compared the structural and electronic properties of rock-salt derived clusters with those of zinc-blende and wurtzite clusters, previously studied","PeriodicalId":101169,"journal":{"name":"Soft Computing Letters","volume":"15 1","pages":"297-303"},"PeriodicalIF":0.0000,"publicationDate":"2005-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Soft Computing Letters","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1163/157404005776611457","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
We present the results of our theoretical calculation on structural, electronic and optical properties of rock-salt ZnnSn clusters as a function of size of the clusters. We have focused on the variation of Mulliken populations, electronic energy levels, band gap and stability as a function of size for rock-salt derived ZnS clusters. We have also compared the structural and electronic properties of rock-salt derived clusters with those of zinc-blende and wurtzite clusters, previously studied
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