Abstract
Analytical self-energies for molecular interfaces with one-dimensional, tight-binding semiconductors are derived, along with analytical solutions to the electrode eigensystems. These models capture the fundamental differences between the transport properties of metals and semiconductors and also account for the appearance of surface states. When the models are applied to zero-temperature electrode-molecule-electrode conductance, junctions with two semiconductor electrodes exhibit a minimum bias threshold for generating current due to the absence of electrode states near the Fermi level. Molecular interactions with semiconductor electrodes additionally produce (i) non-negligible molecular-level shifting by mechanisms absent in metals and (ii) sensitivity of the transport to the semiconductor-molecule bonding configuration. Finally, the general effects of surface states on molecular transport are discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 4665-4676 |
| Number of pages | 12 |
| Journal | Journal of Physical Chemistry A |
| Volume | 113 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - Apr 23 2009 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
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Molecular transport junctions with semiconductor electrodes : Analytical forms for One-Dimensional Self-Energiesf. / Reuter, Matthew G.; Hansen, Thorsten; Seideman, Tamar; Ratner, Mark A.
In: Journal of Physical Chemistry A, Vol. 113, No. 16, 23.04.2009, p. 4665-4676.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Molecular transport junctions with semiconductor electrodes
T2 - Analytical forms for One-Dimensional Self-Energiesf
AU - Reuter, Matthew G.
AU - Hansen, Thorsten
AU - Seideman, Tamar
AU - Ratner, Mark A
PY - 2009/4/23
Y1 - 2009/4/23
N2 - Analytical self-energies for molecular interfaces with one-dimensional, tight-binding semiconductors are derived, along with analytical solutions to the electrode eigensystems. These models capture the fundamental differences between the transport properties of metals and semiconductors and also account for the appearance of surface states. When the models are applied to zero-temperature electrode-molecule-electrode conductance, junctions with two semiconductor electrodes exhibit a minimum bias threshold for generating current due to the absence of electrode states near the Fermi level. Molecular interactions with semiconductor electrodes additionally produce (i) non-negligible molecular-level shifting by mechanisms absent in metals and (ii) sensitivity of the transport to the semiconductor-molecule bonding configuration. Finally, the general effects of surface states on molecular transport are discussed.
AB - Analytical self-energies for molecular interfaces with one-dimensional, tight-binding semiconductors are derived, along with analytical solutions to the electrode eigensystems. These models capture the fundamental differences between the transport properties of metals and semiconductors and also account for the appearance of surface states. When the models are applied to zero-temperature electrode-molecule-electrode conductance, junctions with two semiconductor electrodes exhibit a minimum bias threshold for generating current due to the absence of electrode states near the Fermi level. Molecular interactions with semiconductor electrodes additionally produce (i) non-negligible molecular-level shifting by mechanisms absent in metals and (ii) sensitivity of the transport to the semiconductor-molecule bonding configuration. Finally, the general effects of surface states on molecular transport are discussed.
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UR - http://www.scopus.com/inward/citedby.url?scp=65649123773&partnerID=8YFLogxK
U2 - 10.1021/jp811492u
DO - 10.1021/jp811492u
M3 - Article
VL - 113
SP - 4665
EP - 4676
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 16
ER -