Incoherent transport through molecules on silicon in the vicinity of a dangling bond
Date of this VersionJanuary 2008
PHYSICAL REVIEW B 77, 035432
This document has been peer-reviewed.
We theoretically study the effect of a localized unpaired dangling bond (DB) on occupied molecular orbital conduction through a styrene molecule bonded to a n(++) H:Si(001)-(2x1) surface. For molecules relatively far from the DB, we find good agreement with the reported experiment using a model that accounts for the electrostatic contribution of the DB provided we include some dephasing due to low lying phonon modes. However, for molecules within 10 angstrom to the DB, we have to include electronic contribution as well along with higher dephasing to explain the transport features.