Abstract
A study of the influence of the structural disorder on the localization properties of excitonic eigenstates is presented. The effects of the diagonal and off-diagonal disorders on the exciton wave-functions are analysed through the calculations of inverse participation ratios (IPR) for short-ranged (exchange, octupolar) and long-ranged (dipolar) types of interactions. Configurationally averaged calculations are performed and provide the density and the energy distribution of the IPR at various trap concentrations. The method is then used to analyse the localization behavior of both the guest and host eigenstates of isotopically mixed crystals over the full range of trap concentrations. The computed values of the IPR for guest and host exciton states provide a quantum picture of the mixed crystal and allow to follow the gradual transition from small aggregates to the crystal when the concentration increases from low to high values. Applications are made to naphthalene and anthracene triplet states.
Published Version
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