MODEL-CALCULATIONS OF THE ANTHRACENE PHOTOCURRENT SPECTRUM

The approach used previously to simulate the photocurrent spectrum of anthracene is generalized to account for the actual three-dimensional structure of that crystal, without increasing the number of adjustable parameters. A comprehensive study of the dependence of the photocurrent spectrum on the model parameters is carried out. This suggests that, contrary to previous contentions, the band gap of about 4.4 eV may be compatible with the observed photocurrent spectra, which might eliminate the necessity to introduce the concepts of "optical" and "electrical" band gaps.