A rigorous treatment of the local electric field is used to calculate effective molecular polarizabilitics from optical data for naphthalenc, anthracene, phenanthrene and biphenyl crystals. The principal axes of polarizability are typi-c~lly 10" from the molecular axes, in accord with spectroscopic
The effective molecular polarizability and local electric field in molecular crystals
โ Scribed by Freeman P. Chen; David M. Hanson; David Fox
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 360 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
The general solution for the effective polarizability in naphthalene-type crystals depends on two arbitrary parameters. These are eliminated by fixing one principal axis of polarizability parallel to a molecuiu -,k; numcricd results are given for naphthalene.
A slmplc evpress~on ic dcnvcd for tllc local clcctrlc field in n~olccular fluids whose pair-correlation function can br: made isotropic by radial scaling. It is shown that the dlpolcs withm the surfaces upon which the palr-correltml function IS constant do not contrlbute to the local field at the or
Complete calculations of carrier mobilities in molecular crystals require the incaI electric field, related to the mrtcroscopic field vi:! the molccuiar polarizubility xxi crystal dieiectric tensors. Given rhe local field, off-diagonal mobility components car, be calcutatud from the di amx~sl ones.