Abstract
A new Hamiltonian partition method, used previously for cooperative excitations in molecular crystals, has been adopted for the treatment of surface exciton states in molecular crystals. The formation of surface excitons depends on the relative magnitude of the exciton transfer integrals, J terms, as compared to the environmental shift integrals, D terms. This was established for a sample calculation on a simple cubic molecular crystal. It was found that when the absolute value of the nearest neighbor D term exceeds the corresponding J term two localized states emerge for each value of a two dimensional wavevector. The two localized states are degenerate in the limit of an infinitely thick crystal. The localization of the surface states increases with an increase in the magnitude of the D term.
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.