ISSN:
1057-9257
Keywords:
polyacenes
;
electroabsorption
;
Frenkel excitons
;
charge transfer states
;
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Electrical Engineering, Measurement and Control Technology
,
Physics
Notes:
A two-dimensional analogue of the Merrifield model of the coupling between the Frenkel and charge transfer (CT) excitations of a molecular crystal is applied for the calculation of the electroabsorption (EA) spectra of polyacene crystals. The approach is essentially non-empirical, with most of the necessary input data estimated either from theoretical calculations or from independent experiments. Good agreement between the calculated and experimental EA spectra lends credence to the model and allows us to draw conclusions concerning the accuracy of band gap estimates based on polarisation energy calculations. The conclusions may be potentially useful for other molecular crystals.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
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