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      Ab-initio electron transport calculations of carbon based string structures

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      Author(s)
      Tongay, S.
      Senger, R. T.
      Dag, S.
      Çıracı, Salim
      Date
      2004
      Source Title
      Physical Review Letters
      Print ISSN
      0031-9007
      Publisher
      American Physical Society
      Volume
      93
      Issue
      13
      Pages
      136404-1 - 136404-4
      Language
      English
      Type
      Article
      Item Usage Stats
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      Abstract
      The 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.
      Keywords
      Carbon nanotubes
      Crystal structure
      Electric conductance
      Electric insulators
      Electrodes
      Electronic structure
      Fermi level
      Green's function
      Lattice vibrations
      Metal insulator transition
      Semiconductor junctions
      Axial strength
      Cohesive energy
      Elastic stiffness
      Molecular electronics
      Strain energy
      Electron transport properties
      Permalink
      http://hdl.handle.net/11693/24222
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevLett.93.136404
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      • Department of Physics 2550
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