Abstract
Using a combination of density functional theory and quantum master equations approach, we study the effect of electromagnetic (EM) coupling on the nonequilibrium steady-state behavior of a recently introduced gated molecular junction. This junction was demonstrated in a previous publication to exhibit sharp current switching near a certain critical DC field Ez, which induces intramolecular charge transfer, and here, we analyze the steady-state population and current when an AC EM field (EMF) is present. The AC EMF at frequency ω0 produces pronounced population and current features at gate fields Ez = Ez ± ω0/ez (where ez is the dipole of the charge-transfer state) and thus allows additional sharp switching capability at lower gate fields. We found that even when EMF is absent, the EM coupling itself changes the overall steady-state population and current distributions because it allows for relaxation via spontaneous emission.
Original language | English |
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Pages (from-to) | 3545-3550 |
Number of pages | 6 |
Journal | Journal of Physical Chemistry Letters |
Volume | 5 |
Issue number | 20 |
DOIs | |
State | Published - 16 Oct 2014 |
Bibliographical note
Publisher Copyright:© 2014 American Chemical Society.
Keywords
- exciton binding energy
- gate-controlled conductance
- laser-controlled conductance
- molecular junctions
- molecular switches
- nonequilibrium transport
- spontaneous emission