Exchange effects on the electron and hole mobility in crystalline anthracene and naphthalene

Robert Silbey*, Joshua Jortner, Stuart A. Rice, Martin T. Vala

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

In this paper we present the results of calculations of the electron and hole band structure of crystalline anthracene and naphthalene in the tight binding approximation, and of the mobility tensor in the constant-free-time and constant-free-path approximations. This treatment differs from previous formulations by inclusion of the effects of intermolecular electron exchange and of vibronic coupling (in the weak coupling scheme). The bandwidths were found to be of the order of 0.02 eV and smaller, and the mobility data were found to be consistent with the band scheme. The predicted mobility in the c′ direction is found to be in good agreement with experiment, in contrast to previous treatments.

Original languageEnglish
Pages (from-to)733-737
Number of pages5
JournalThe Journal of Chemical Physics
Volume42
Issue number2
DOIs
StatePublished - 1965
Externally publishedYes

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