Yn. Gartstein et Em. Conwell, HIGH-FIELD HOPPING MOBILITY IN DISORDERED MOLECULAR-SOLIDS - A MONTE-CARLO STUDY OF OFF-DIAGONAL DISORDER EFFECTS, The Journal of chemical physics, 100(12), 1994, pp. 9175-9180
In the model of high-field hopping studied extensively by Bassler and
collaborators, disorder arising from the varying intersite wave functi
on overlap (off-diagonal disorder) was incorporated by random assignme
nt of an overlap decay rate to each site independently, admittedly an
arguable procedure. We have carried out Monte Carlo simulations incorp
orating assignment of a random overlap to each bond. The assumptions o
f a Gaussian density of states and a Miller-Abrahams type of elementar
y jump rate were retained. We find the value and field variation of th
e mobility to be quite sensitive to the model of off-diagonal disorder
considered. However, the results of our simulations may also be fitte
d by an exponential dependence of mobility on the square root of field
for some ranges of field and parameters of the disorder.