molecule1

Two terminal molecular device simulating conduction through a single molecular energy level


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Author(s): Nikhil Kriplani

Usage:

Parameter TypeDefault value Required?
e0: Equilibrium energy level (eV) DOUBLE -4.5 no
g1: Energy level broadening due to contact one (eV) DOUBLE 0.1 no
g2: Energy level broadening due to contact two (eV) DOUBLE 0.1 no
ef: Fermi reference level (eV) DOUBLE -5.1 no
etha: Voltage division factor (unity) DOUBLE 0.5 no
m: Proportionality constant in energy-time-uncertainty (unity) DOUBLE 1 no
u0: Single electron charging energy (eV) DOUBLE 1.3 no
t: Operation Temperature (K) DOUBLE 300 no
accur: Accuracy of the predictor-corrector arrangement DOUBLE 1e-06 no
area: Area of device DOUBLE 1 no

fREEDA Version 1.3 compiled on Jul 25 2007 12:04:09