Abstract
Changes of the polarization energy of a crystal by an excess charge carrier due to the presence of the (010)(001) edge or screw dislocations in anthracene crystals have been calculated. The maximum changes (trap depths) have been found to be -0.14 eV at the compressive region around the edge dislocation. It was revealed that the strong anisotropy of polarizability of an anthracene molecule led to trap depths of -0.11 eV (comparable to those of the edge dislocation) around the screw dislocation having no compressive strains but only shear strains. One-dimensional arrays of traps and anti-traps appeared alternately around the screw dislocation.
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