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Proceedings Paper

Calculations of nonlinear wavelength-dependent microscopic polarizabilities of C60
Author(s): Arne Rosen; E. Westin
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Paper Abstract

Ground state local density calculations have been performed to evaluate the free response of the wavelength dependent microscopic nonlinear polarizabilities (gamma) (3)(-3(omega) ;(omega) ,(omega) ,(omega) ), for the C60 molecule and the macroscopic susceptibilities (chi) (3)(-3(omega) ;(omega) ,(omega) ,(omega) ) i.e. Third Harmonic Generation, for films using a sum-over-states approach. The influence of screening was determined by applying an external static electric field in separate self-consistent calculations to evaluate the induced dipole moment which was used to determine the static linear and nonlinear polarizabilities. The polarizabilities calculated in the static limit were used to determine effective screening parameters which were in turn used together with an RPA approach to calculate screened wave-dispersed, third-order nonlinear optical properties such as (gamma) (3)(-3(omega) ;(omega) ,(omega) ,(omega) ) and (chi) (3)(-3(omega) ;(omega) ,(omega) ,(omega) ). Inclusion of screening results in susceptibilities about two orders of magnitude below the experimental values.

Paper Details

Date Published: 28 November 1994
PDF: 9 pages
Proc. SPIE 2284, Fullerenes and Photonics, (28 November 1994); doi: 10.1117/12.196137
Show Author Affiliations
Arne Rosen, Chalmers Univ. of Technology and Goteborg Univ. (Sweden)
E. Westin, Chalmers Univ. of Technology and Goteborg Univ. (Sweden)

Published in SPIE Proceedings Vol. 2284:
Fullerenes and Photonics
Zakya H. Kafafi, Editor(s)

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