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      Long-range interactions in carbon atomic chains

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      Author(s)
      Cahangirov, S.
      Topsakal, M.
      Çıracı, Salim
      Date
      2010
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      1098-0121
      Publisher
      American Physical Society
      Volume
      82
      Issue
      19
      Pages
      195444-1 - 195444-5
      Language
      English
      Type
      Article
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      Abstract
      Based on first-principles calculations we revealed fundamental properties of infinite and finite-size monatomic chains of carbon atoms in equilibrium and under an applied strain. Distributions of bond lengths and magnetic moments at atomic sites exhibit interesting even-odd disparity depending on the number of carbon atoms in the chain and on the type of saturation of carbon atoms at both ends. It was shown that, the bands of carbon atomic chains behave as a one-dimensional free-electron system. A local perturbation created by a small displacement of the single carbon atom at the center of a long chain induces oscillations of atomic forces and charge density, which are carried to long distances over the chain. These long-ranged oscillations are identified as Friedel oscillations showing 1/r decay rate in one-dimensional systems.
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      http://hdl.handle.net/11693/22137
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.82.195444
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      • Department of Physics 2397
      • Institute of Materials Science and Nanotechnology (UNAM) 1930
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