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Electronic properties of linear carbon chains: Resolving the controversy

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Electronic properties of linear carbon chains: Resolving the controversy. / Al-Backri, Amaal; Zolyomi, Viktor; Lambert, Colin J.
In: Journal of Chemical Physics, Vol. 140, No. 10, 104306, 14.03.2014.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Al-Backri, A, Zolyomi, V & Lambert, CJ 2014, 'Electronic properties of linear carbon chains: Resolving the controversy', Journal of Chemical Physics, vol. 140, no. 10, 104306. https://doi.org/10.1063/1.4867635

APA

Al-Backri, A., Zolyomi, V., & Lambert, C. J. (2014). Electronic properties of linear carbon chains: Resolving the controversy. Journal of Chemical Physics, 140(10), Article 104306. https://doi.org/10.1063/1.4867635

Vancouver

Al-Backri A, Zolyomi V, Lambert CJ. Electronic properties of linear carbon chains: Resolving the controversy. Journal of Chemical Physics. 2014 Mar 14;140(10):104306. doi: 10.1063/1.4867635

Author

Al-Backri, Amaal ; Zolyomi, Viktor ; Lambert, Colin J. / Electronic properties of linear carbon chains : Resolving the controversy. In: Journal of Chemical Physics. 2014 ; Vol. 140, No. 10.

Bibtex

@article{e2df371f9aeb4fda973cb55c5aebf378,
title = "Electronic properties of linear carbon chains: Resolving the controversy",
abstract = "Literature values for the energy gap of long one-dimensional carbon chains vary from as little as 0.2 eV to more than 4 eV. To resolve this discrepancy, we use the GW many-body approach to calculate the band gap E-g of an infinite carbon chain. We also compute the energy dependence of the attenuation coefficient beta governing the decay with chain length of the electrical conductance of long chains and compare this with recent experimental measurements of the single-molecule conductance of end-capped carbon chains. For long chains, we find E-g = 2.16 eV and an upper bound for beta of 0.21 angstrom(-1). (C) 2014 Author(s).",
keywords = "SINGLE-MOLECULE CONDUCTANCE, ELECTRICAL CONDUCTANCE, JUNCTION CONDUCTANCE, WIRES, TRANSPORT, TRANSITION, DEPENDENCE, CARBYNE, CONDUCTIVITY, CONFORMATION",
author = "Amaal Al-Backri and Viktor Zolyomi and Lambert, {Colin J.}",
year = "2014",
month = mar,
day = "14",
doi = "10.1063/1.4867635",
language = "English",
volume = "140",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "AMER INST PHYSICS",
number = "10",

}

RIS

TY - JOUR

T1 - Electronic properties of linear carbon chains

T2 - Resolving the controversy

AU - Al-Backri, Amaal

AU - Zolyomi, Viktor

AU - Lambert, Colin J.

PY - 2014/3/14

Y1 - 2014/3/14

N2 - Literature values for the energy gap of long one-dimensional carbon chains vary from as little as 0.2 eV to more than 4 eV. To resolve this discrepancy, we use the GW many-body approach to calculate the band gap E-g of an infinite carbon chain. We also compute the energy dependence of the attenuation coefficient beta governing the decay with chain length of the electrical conductance of long chains and compare this with recent experimental measurements of the single-molecule conductance of end-capped carbon chains. For long chains, we find E-g = 2.16 eV and an upper bound for beta of 0.21 angstrom(-1). (C) 2014 Author(s).

AB - Literature values for the energy gap of long one-dimensional carbon chains vary from as little as 0.2 eV to more than 4 eV. To resolve this discrepancy, we use the GW many-body approach to calculate the band gap E-g of an infinite carbon chain. We also compute the energy dependence of the attenuation coefficient beta governing the decay with chain length of the electrical conductance of long chains and compare this with recent experimental measurements of the single-molecule conductance of end-capped carbon chains. For long chains, we find E-g = 2.16 eV and an upper bound for beta of 0.21 angstrom(-1). (C) 2014 Author(s).

KW - SINGLE-MOLECULE CONDUCTANCE

KW - ELECTRICAL CONDUCTANCE

KW - JUNCTION CONDUCTANCE

KW - WIRES

KW - TRANSPORT

KW - TRANSITION

KW - DEPENDENCE

KW - CARBYNE

KW - CONDUCTIVITY

KW - CONFORMATION

U2 - 10.1063/1.4867635

DO - 10.1063/1.4867635

M3 - Journal article

VL - 140

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

M1 - 104306

ER -