Exchange Effects on the Electron and Hole Mobility in Crystalline Anthracene and Naphthalene
1.(a) R. G. Kepler, Phys. Rev. 119, 1226 (1960).
1.(b) R. G. Kepler, Org. Semicond. Proc. Inter‐Ind. Conf. 1962, 1 (1962).
2.O. H. LeBlanc, J. Chem. Phys. 33, 626 (1960).
3.G. D. Thaxton, R. C. Jarnagin, and M. Silver, J. Phys. Chem. 66, 2461 (1962).
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6.P. S. Bagus, T. L. Gilbert, C. C. J. Roothaan, and H. D. Cohen “Analytic SCF Functions for the First Row Atoms,” (to be published). The atomic orbitals used is the of the state of atomic carbon.
7.There are two possible wavefunctions for electrons, as well as holes, due to the two inequivalent molecules per unit cell. These are represented as and N is the number of unit cells.
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9.Let the reader note that the components of the mobility tensor were calculated in the manner of Katz et al.5, that is the velocity components were averaged over the Boltzmann distribution of electrons in the band. Therefore, although each is modified by the same vibrational overlap, the bandwidth (which is dependent on the vibrational overlap) appears in the exponent of the Boltzmann factor and modifies the integral. Thus only when the Boltzmann factor is close to unity for the entire band will the vibrational overlap factors cancel in the ratio of mobility components. (See Ref. 5, Eq. 35.)
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