Structural Disorder as a Source of Traps for Current Carriers in Organic Molecular Crystals

Abstract

Changes of the polarization energy due to presence of structural defects in a model molecular crystal and in anthracene have been calculated. The changes (which may be compared with depths of traps for current carriers) have been found to be not larger than ca. 0.5 eV. Changes of the polarization energy due to external pressures applied along principal crystallographic directions of an anthracene crystal have also been estimated. The results obtained seem to provide a support to the opinion that the formation of deep structural traps of the polarizational origin is possible only in very special cases.