Long-range interactions in carbon atomic chains
Physical Review B - Condensed Matter and Materials Physics
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Please cite this item using this persistent URLhttp://hdl.handle.net/11693/22137
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. © 2010 The American Physical Society.
- Research Paper 7144