Ab-initio electron transport calculations of carbon based string structures

buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860en_US
dc.citation.epage136404-4en_US
dc.citation.issueNumber13en_US
dc.citation.spage136404-1en_US
dc.citation.volumeNumber93en_US
dc.contributor.authorTongay, S.en_US
dc.contributor.authorSenger, R. T.en_US
dc.contributor.authorDag, S.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.contributor.bilkentauthorÇıracı, Salim
dc.date.accessioned2016-02-08T10:26:00Z
dc.date.available2016-02-08T10:26:00Z
dc.date.issued2004en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractThe new stable structures of carbon-based strings and their unusual electronic transport properties were discussed. Total energy and electronic structure calculations using first principles pseudopotential plane wave method within density functional theory (DFT) and supercell geometries were also carried out. It was found that carbon chains were suitable for structural and chemical functionalizations because of their flexibility. These carbon chains also form stable ring, helix, grid and network structures. The results show that the double covalent bonding of carbon atoms underlies their unusual chemical, mechanical and transport properties and carbon chains can form stable string structures with impressive physical properties.en_US
dc.identifier.doi10.1103/PhysRevLett.93.136404en_US
dc.identifier.issn0031-9007
dc.identifier.urihttp://hdl.handle.net/11693/24222
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevLett.93.136404en_US
dc.source.titlePhysical Review Lettersen_US
dc.subjectCarbon nanotubesen_US
dc.subjectCrystal structureen_US
dc.subjectElectric conductanceen_US
dc.subjectElectric insulatorsen_US
dc.subjectElectrodesen_US
dc.subjectElectronic structureen_US
dc.subjectFermi levelen_US
dc.subjectGreen's functionen_US
dc.subjectLattice vibrationsen_US
dc.subjectMetal insulator transitionen_US
dc.subjectSemiconductor junctionsen_US
dc.subjectAxial strengthen_US
dc.subjectCohesive energyen_US
dc.subjectElastic stiffnessen_US
dc.subjectMolecular electronicsen_US
dc.subjectStrain energyen_US
dc.subjectElectron transport propertiesen_US
dc.titleAb-initio electron transport calculations of carbon based string structuresen_US
dc.typeArticleen_US
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