Three-dimensional band structure and bandlike mobility in oligoacene single crystals were discussed. The transfer integrals for all nonzero interactions in naphthalene, anthracene, tetracene, and pentacene were calculated. Thermal-averaged velocity-velocity tensors in the constant-free-time and the constant-free-path approximations for all four materials were determined at temperatures ranging from 2 to 500 K. It was found that the bandwidths for these oligocenes were in the range of 0.1-0.5 eV.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry