Erratum: From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport (Physical Review B - Condensed Matter and Materials Physics (2011) 84 (205436))
Citation:
Bilic, A., Gale, J.D., Sanvito, S., Erratum: From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport (Physical Review B - Condensed Matter and Materials Physics (2011) 84 (205436)), 2012, 039905Download Item:
Abstract:
Recently, we have discovered an error in the atomic configuration of the top gold (001) terminal. Namely, the sequential
ordering of six gold atoms in the input file was interchanged through a shear accident, and, consequently, the atomic ordering
in the terminal did not match that of the original lead calculation. This has no effect on the density functional calculations, but
it resulted in erroneous transport calculations, where the atom ordering in both terminals has to exactly match that of the lead
calculation. Consequently, the results shown in the original Figs.
5
,
6
, and
7
were wrong, with unusually high currents. The
corrected results are shown below.
Author's Homepage:
http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: SANVITO, STEFANO
Collections
Availability:
Full text availableKeywords:
CorrectionISSN:
86 (3)Metadata
Show full item recordLicences: