Long-range interactions in carbon atomic chains

S. Cahangirov, M. Topsakal, S. Ciraci

Research output: Contribution to journalArticlepeer-review

72 Scopus citations

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.

Original languageEnglish (US)
Article number195444
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume82
Issue number19
DOIs
StatePublished - Nov 30 2010

Fingerprint Dive into the research topics of 'Long-range interactions in carbon atomic chains'. Together they form a unique fingerprint.

Cite this