A theoretical study on silicon and III-V compound nanotubes

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buir.contributor.authorDurgun, Engin
buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage318en_US
dc.citation.issueNumber5en_US
dc.citation.spage307en_US
dc.citation.volumeNumber29en_US
dc.contributor.authorDurgun, Enginen_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T10:22:23Z
dc.date.available2016-02-08T10:22:23Z
dc.date.issued2005en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractIn this paper we present a theoretical study on single-wall silicon and III-V compound nanotubes. First principles plane wave calculations within density functional theory are used to predict energetics and electronic structures of armchair and zigzag nanotubes. The stability of tubular structures is further investigated at finite temperature by ab initio molecular dynamics calculations. Our results indicate that (n,0) zigzag and (n,n) armchair single-wall Si nanotubes are stable for n ≥ 6. Mechanically, the Si nanotubes are radially soft, however they are strong against axial deformations. Electronic analysis showed that zigzag nanotubes are metallic for n ≤ 11, but they show semiconducting behavior for larger radii. On the other hand, all armchair nanotubes are metallic. (8,0) single wall nanotube has been chosen as prototypes for AlP, GaN, and GaAs compounds and we found that they are semiconducting and stable at room temperature. © TÜBİTAK.en_US
dc.identifier.eisbn1303-6122
dc.identifier.issn1300-0101
dc.identifier.urihttp://hdl.handle.net/11693/23987
dc.language.isoEnglishen_US
dc.publisherTÜBİTAKen_US
dc.source.titleTurkish Journal of Physicsen_US
dc.subjectFirst principles calculationsen_US
dc.subjectNanotubeen_US
dc.subjectSiliconen_US
dc.subjectDeformationen_US
dc.subjectMolecular dynamicsen_US
dc.subjectNanotubesen_US
dc.subjectProbability density functionen_US
dc.subjectSemiconducting gallium arsenideen_US
dc.subjectElectronic analysisen_US
dc.subjectFirst principles calculationen_US
dc.subjectSingle-wall siliconen_US
dc.subjectSiliconen_US
dc.titleA theoretical study on silicon and III-V compound nanotubesen_US
dc.typeArticleen_US

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