Density functional theory study of the formation of Si nanostructures on a Si(111) unreconstructed surface
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| Title: | Density functional theory study of the formation of Si nanostructures on a Si(111) unreconstructed surface |
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| Authors: | Mutombo, Pingo mutombo@fzu.cz, Chab, Vladimir1 |
| Source: | Surface Science. Sep2006, Vol. 600 Issue 18, p4081-4085. 5p. |
| Subjects: | Density functionals, Silicon, Nanostructures, Surface chemistry |
| Abstract: | Abstract: Density functional theory (DFT) calculations have been used to characterize the bonding geometry in Si nanostructures, such as trimers (Si3), tetramers (Si4) and hexamers (Si6) formed on a Si(111) surface. Trimers and tetramers were simulated by placing three respectively four Si adatoms in high symmetry adsorption sites on the Si(111) surface. For Si6 clusters, a combination of these adsorption sites were used. We found that only trimer and tetramer formed by adsorbing Si adatoms in ontop position can be considered as clusters because of bonding interaction among their constituents. For hexamers, bonds are also formed between Si adatoms suggesting their existence as stable entity. [Copyright &y& Elsevier] |
| Copyright of Surface Science is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 22581128 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Density functional theory study of the formation of Si nanostructures on a Si(111) unreconstructed surface – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Mutombo%2C+Pingo%22">Mutombo, Pingo</searchLink><i> mutombo@fzu.cz</i><br /><searchLink fieldCode="AR" term="%22Chab%2C+Vladimir%22">Chab, Vladimir</searchLink><relatesTo>1</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Surface+Science%22">Surface Science</searchLink>. Sep2006, Vol. 600 Issue 18, p4081-4085. 5p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Density+functionals%22">Density functionals</searchLink><br /><searchLink fieldCode="DE" term="%22Silicon%22">Silicon</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructures%22">Nanostructures</searchLink><br /><searchLink fieldCode="DE" term="%22Surface+chemistry%22">Surface chemistry</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Abstract: Density functional theory (DFT) calculations have been used to characterize the bonding geometry in Si nanostructures, such as trimers (Si3), tetramers (Si4) and hexamers (Si6) formed on a Si(111) surface. Trimers and tetramers were simulated by placing three respectively four Si adatoms in high symmetry adsorption sites on the Si(111) surface. For Si6 clusters, a combination of these adsorption sites were used. We found that only trimer and tetramer formed by adsorbing Si adatoms in ontop position can be considered as clusters because of bonding interaction among their constituents. For hexamers, bonds are also formed between Si adatoms suggesting their existence as stable entity. [Copyright &y& Elsevier] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Surface Science is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=22581128 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.susc.2005.11.068 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 5 StartPage: 4081 Subjects: – SubjectFull: Density functionals Type: general – SubjectFull: Silicon Type: general – SubjectFull: Nanostructures Type: general – SubjectFull: Surface chemistry Type: general Titles: – TitleFull: Density functional theory study of the formation of Si nanostructures on a Si(111) unreconstructed surface Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Mutombo, Pingo – PersonEntity: Name: NameFull: Chab, Vladimir IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 09 Text: Sep2006 Type: published Y: 2006 Identifiers: – Type: issn-print Value: 00396028 Numbering: – Type: volume Value: 600 – Type: issue Value: 18 Titles: – TitleFull: Surface Science Type: main |
| ResultId | 1 |
