{"title":"岩盐ZnS团簇尺寸依赖性的理论研究","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":"{\"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}","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}
A theoretical study on size-dependent properties of rock-salt ZnS clusters
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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