Band gap and binding energies of charge-transfer excitons in organic molecular crystals
作者： Piotr Petelenz , Grzegorz Mazur
DOI: 10.1016/S0009-2614(99)00038-X
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摘要: Abstract The observed difference of 0.2–0.3 eV between the optical and electric band gap in organic solids was commonly attributed to vibrational relaxation. recently calculated values [I.V. Brovchenko, Chem. Phys. Lett. 278 (1997) 355] lattice relaxation energy vicinity a charge carrier or charge-transfer state never exceed 0.02–0.03 eV, demonstrating that conventional rationalization is no longer tenable. An alternative explanation proposed where interpreted terms delocalization past controversies are inconsistencies treating this contribution energy.
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