Ab-initio electron transport calculations of carbon based string structures

S. Tongay, R. T. Senger, S. Dag, S. Ciraci

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Abstract

The new stable structures of carbon-based strings and their unusual electronic transport properties were discussed. Total energy and electronic structure calculations using first principles pseudopotential plane wave method within density functional theory (DFT) and supercell geometries were also carried out. It was found that carbon chains were suitable for structural and chemical functionalizations because of their flexibility. These carbon chains also form stable ring, helix, grid and network structures. The results show that the double covalent bonding of carbon atoms underlies their unusual chemical, mechanical and transport properties and carbon chains can form stable string structures with impressive physical properties.

Original languageEnglish (US)
Pages (from-to)136404-1-136404-4
JournalPhysical Review Letters
Volume93
Issue number13
DOIs
StatePublished - Sep 24 2004
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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