J. Tamulienė, R. Vaišnoras, M. Balevičius, Loreta Rastinienė
{"title":"小Co纳米颗粒的几何结构","authors":"J. Tamulienė, R. Vaišnoras, M. Balevičius, Loreta Rastinienė","doi":"10.1117/12.726518","DOIUrl":null,"url":null,"abstract":"Electronic and geometrical structures of Con (n=4, 6, 8) particles have been studied using both the density functional theory and the Hartree-Fock calculations. Structural differences to the corresponding clusters are presented. Four-fold coordination of the Co atoms was found to be a particularly preferable coordination environment in small Con species. The key element of the Co particle is suggested.","PeriodicalId":273853,"journal":{"name":"International Conference on Advanced Optical Materials and Devices","volume":"33 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2006-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"Geometrical structure of small Co nanoparticles\",\"authors\":\"J. Tamulienė, R. Vaišnoras, M. Balevičius, Loreta Rastinienė\",\"doi\":\"10.1117/12.726518\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Electronic and geometrical structures of Con (n=4, 6, 8) particles have been studied using both the density functional theory and the Hartree-Fock calculations. Structural differences to the corresponding clusters are presented. Four-fold coordination of the Co atoms was found to be a particularly preferable coordination environment in small Con species. The key element of the Co particle is suggested.\",\"PeriodicalId\":273853,\"journal\":{\"name\":\"International Conference on Advanced Optical Materials and Devices\",\"volume\":\"33 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2006-02-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Conference on Advanced Optical Materials and Devices\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1117/12.726518\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Conference on Advanced Optical Materials and Devices","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.726518","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Electronic and geometrical structures of Con (n=4, 6, 8) particles have been studied using both the density functional theory and the Hartree-Fock calculations. Structural differences to the corresponding clusters are presented. Four-fold coordination of the Co atoms was found to be a particularly preferable coordination environment in small Con species. The key element of the Co particle is suggested.
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