1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Dynamic disorder in molecular semiconductors: Charge transport in two dimensions
Rent:
Rent this article for
USD
10.1063/1.3524314
/content/aip/journal/jcp/134/3/10.1063/1.3524314
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/3/10.1063/1.3524314

Figures

Image of FIG. 1.
FIG. 1.

Evolution of the model to describe semiclassically the charge dynamics in organic semiconductor. (a) in Ref. 29, we considered a one-dimensional array with one state per site, (b) in Ref. 33, we considered more states per site in one dimension; and (c) the formalism presented in this work is for an arbitrary number of states per sites and dimensions.

Image of FIG. 2.
FIG. 2.

The models considered in this paper. (a) The 1D chain of rubrene molecules, with interaction only between nearest neighbors. (b) The ab plane of rubene with indicated two molecules in the unit cell. (c) The coupling pattern of the molecules in the rubrene plane with two couplings of type A and four of type B per unit cell. The coupling type A in the plane is identical to the coupling between neighbors in the rubrene chain. The conventional unit cell vectors a and b, of length 14.4 and 7.2 Å, respectively, are also shown with the Cartesian directions x and y used to define the mobility tensor.

Image of FIG. 3.
FIG. 3.

(a) DOS (per molecule) and (b) energy resolved localization length of a one-dimensional chain or rubrene molecules at 300 K. The dashed line in panel (a) indicates the DOS in the absence of electron-phonon coupling (or at 0 K in the semiclassical limit).

Image of FIG. 4.
FIG. 4.

(a) DOS (per molecule) and (b) energy resolved localization length for the two-dimensional model of the ab plane of rubrene at 300 K (solid line). The dashed line in panel (a) indicates the DOS in the absence of electron–phonon coupling. The dotted lines in panels (a) and (b) indicate the calculation performed removing the local component of the electron-phonon coupling.

Image of FIG. 5.
FIG. 5.

Visualization of the spread of the wavefunction initially localized by dynamic disorder.

Image of FIG. 6.
FIG. 6.

The dashed lines represent the spread of the wavefunction in the x direction [ see Eq. (12)] for several starting wavefunctions. The solid line is the temperature averaged .

Image of FIG. 7.
FIG. 7.

Temperature dependence of the three components of the mobility tensor.

Image of FIG. 8.
FIG. 8.

A supercell with 4 rubrene molecules [replicated four times, compare with the schematics of Fig. 2(c)] used to study charge transport in the absence of correlation between the transfer integral fluctuations. The off-diagonal element between neighboring molecules is modulates by 6 different nuclear modes (indicated by the label on the segments) with similar electron-phonon coupling parameter.

Image of FIG. 9.
FIG. 9.

(a) DOS (per molecule) and (b) energy resolved localization length of 2D model of rubrene in the presence of correlation between the fluctuation of the coupling (dashed line) and in the absence of correlation (solid line).

Tables

Generic image for table
Table I.

Parameters of the model Hamiltonian.

Loading

Article metrics loading...

/content/aip/journal/jcp/134/3/10.1063/1.3524314
2011-01-19
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dynamic disorder in molecular semiconductors: Charge transport in two dimensions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/3/10.1063/1.3524314
10.1063/1.3524314
SEARCH_EXPAND_ITEM