Theoretical description of the charge transfer (CT) exciton across the donor-acceptor interface without the use of a completely localized hole (or electron) is a challenge in the field of organic solar cells. We calculate the total wavefunction of the CT exciton by solving an effective two-particle Schrodinger equation for the inhomogeneous dielectric interface. We formulate the magnitude of the CT and construct a minimal model of the CT exciton under the breakdown of inversion symmetry. We demonstrate that both a light hole mass and a hole localization along the normal to the dielectric interface are crucial to yield the CT exciton.
@article{arxiv.1604.02807,
title = {Minimal model for charge transfer excitons at the dielectric interface},
author = {Shota Ono and Kaoru Ohno},
journal= {arXiv preprint arXiv:1604.02807},
year = {2016}
}