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Ab-initioElectron Transport Calculations of Carbon Based String Structures

2004/09/23 by Sefaattin Tongay, S. Tongay, R. T. Senger +4 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Graphene research and applications #Molecular Junctions and Nanostructures #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevlett.93.136404

published as Physical Review Letters 93, 136404 (2004) · 4 pages, 4 figures

openalex publication_date 2004/09/23 · arxiv created 2005/05/13 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Because of their flexibility and reactivity, carbon chains are suitable for structural and chemical functionalizations; they also form stable ring, helix, grid, and network structures. Analysis of electronic conductance of various infinite, finite, and doped string structures reveal fundamental and technologically interesting features. Changes in doping and geometry give rise to dramatic variations in conductance. In even-numbered linear chains, strain induces a substantial decrease of conductance. The double covalent bonding of carbon atoms underlies their unusual chemical, mechanical, and transport properties.

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