Model of a D-B-A molecular junction driven by external field E(t). Shown are: (a) original model and (b) CW laser driving case transformed to the rotating frame of the field.
Effective model of a coherently controlled molecular switch.
Effective model (transformation (10) and rotating wave approximation (RWA) applied) of coherently controlled molecular pump, Eqs. (2)–(5). Light induced current vs. (a) laser field intensity E 0 and (b) frequency ω E . Shown are results for standard parameters (solid line red), t eff = 0.05 eV (dash-dotted line, green), t eff = 0.1 eV (dash-double-dotted line, blue), ɛ3 − ɛ1 = 0.05 eV (dotted line, black), and ɛ3 − ɛ1 = 0.1 eV (dashed line, magenta).
Coherent molecular charge-pump response to a monochromatic pulse. Panel (a) shows current through the junction vs. time for a pulse of 100 fs (solid line, red), 300 fs (dotted line, black), and 600 fs (dashed line, blue). Inset in the panel shows charge buildup for the three pulses. Panel (b) shows total transferred charge through the junction vs. pulse length for “standard” set of parameters (solid line, blue) and μE 0 = 0.03 eV (dashed line, black).
Comparison between NEGF (solid line, red) and QME (dashed line, blue) results for junction with strong coupling to the leads response to a 100 fs monochromatic pulse. Main panel presents pulse-induced current through the unbiased junction. Inset shows transferred charge buildup. See text for parameters.
Effective model (transformation (10) and RWA applied) of coherently controlled molecular switch, Eqs. (11)–(14). Light induced current vs. (a) laser field intensity E 0and (b) frequency ω E . Shown are currents flowing into reservoirs (see sketch in Fig. 2) R 3 (solid line, red) and R 4 (dashed line, blue). See text for parameters.
Coherent molecular switch response to 150 fs monochromatic pulse of frequency ω = 2.05 eV (a) and 2.15 eV (b). Shown are light-induced currents to reservoirs (see Fig. 2) R 3 (solid line, red) and R 4 (dashed line, blue). Parameters of the calculation are as in Fig. 6(b).
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