A model description of charge carrier transport phenomena in organic molecular crystals. I. Polyacene crystals

• Published in: Chemical physics Vol. 138; no. 2; pp. 347 - 363
• Main Authors: Silinsh, E.A., Shlihta, G.A., Jurgis, A.J.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 15.11.1989; Elsevier
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Conductivity phenomena in semiconductors and insulators; Electronic transport in condensed matter; Exact sciences and technology; General theory, scattering mechanisms; Physics; Polaron; Anthracene; Temperature; Charge carrier mobility; Theoretical study; Optical phonon; Acoustic phonon; Condensed benzenic compound; Relaxation; Electric field; Naphthalene; Charge carrier scattering; High field; Hot carrier; Effective mass; Drift velocity; Low temperature; Organic compounds
• ISSN: 0301-0104
• DOI: 10.1016/0301-0104(89)87141-1

Results of computer simulation studies of charge carrier transport phenomena in polyacene crystals are presented. A modified Sano-Mozumder (SM) model has been used in order to simulate reported experimental carrier transport characteristics as a function of the electric field E and temperature T. It is shown that in the framework of the SM model it is possible to describe also recently reported anomalous electric field-dependent carrier mobilities in polyacene crystals. Conditions for the creation of hot, non-thermalized carriers and their transport mechanisms at high electric field values are analysed. The present studies demonstrate the plausibility of nearly small molecular polaron (MP) model approach to describe phenomenologically the charge carrier separation and transport phenomena in polyacene crystals over a wide temperature (4.2–300 K) and electric field E = 10 3-10 6V/cm) range bo