Electronic properties of linear carbon chains: Resolving the controversy
Journal Article
·
· Journal of Chemical Physics
- Physics Department, Lancaster University, LA1 4YB Lancaster (United Kingdom)
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{sub g} of an infinite carbon chain. We also compute the energy dependence of the attenuation coefficient β 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{sub g} = 2.16 eV and an upper bound for β of 0.21 Å{sup −1}.
- OSTI ID:
- 22253460
- Journal Information:
- Journal of Chemical Physics, Vol. 140, Issue 10; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Stable isotope informed genome-resolved metagenomics reveals that Saccharibacteria utilize microbially-processed plant-derived carbon
Mass dependence of the activation enthalpy and entropy of unentangled linear alkane chains
Tunnel current across linear homocatenated germanium chains
Journal Article
·
Tue Jul 03 00:00:00 EDT 2018
· Microbiome
·
OSTI ID:22253460
+4 more
Mass dependence of the activation enthalpy and entropy of unentangled linear alkane chains
Journal Article
·
Wed Oct 14 00:00:00 EDT 2015
· Journal of Chemical Physics
·
OSTI ID:22253460
Tunnel current across linear homocatenated germanium chains
Journal Article
·
Tue Jan 28 00:00:00 EST 2014
· Journal of Applied Physics
·
OSTI ID:22253460