Long-range interactions in carbon atomic chains

S. Cahangirov, M. Topsakal, and S. Ciraci
Phys. Rev. B 82, 195444 – Published 30 November 2010

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 π 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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  • Received 23 July 2010

DOI:https://doi.org/10.1103/PhysRevB.82.195444

©2010 American Physical Society

Authors & Affiliations

S. Cahangirov1, M. Topsakal1, and S. Ciraci1,2,*

  • 1UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800, Turkey
  • 2Department of Physics, Bilkent University, Ankara 06800, Turkey

  • *ciraci@fen.bilkent.edu.tr

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Issue

Vol. 82, Iss. 19 — 15 November 2010

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