Abstract
Effects of microscopic orientational disorder on electro-absorption of charge-transfer (CT) states in the high-temerature phase of the C 60 crystal are simulated on a cluster consisting of 108 molecules. The results suggest that this kind of disorder may be successfully modeled in terms of an effective crystal with full translational symmetry. Mesoscopic disorder is simulated for thin films of sexithiophene. The spectral broadening observed in absorption is attributed to the non-analyticity of the calculated dipole sums at k=0, resulting in their dependence on crystallte orientation with respect to incident radiation.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.