Coulomb interaction effects on nonlinear optical response in C60, C70, and higher fullerenes

Details Coulomb interaction effects on nonlinear optical response in C60, C70, and higher fullerenes Coulomb interaction effects on nonlinear optical response in C60, C70, and higher fullerenes

1998-02-13

arxiv.org/abs/cond-mat/9802144v1

J. Phys.: Condens. Matter 10 (1998) 6845-6850

Physics

Condensed Matter

Soft Condensed Matter

8 pages; 3 figures; Figures should be requested to the author (E-mail: harigaya@etl.go.jp)

Scientific paper

10.1088/0953-8984/10/30/021

Nonlinear optical properties in the fullerene C$_{60}$ and the extracted higher fullerenes -- C$_{70}$, C$_{76}$, C$_{78}$, and C$_{84}$ -- are theoretically investigated by using the exciton formalism and the sum-over-states method. We find that off-resonant third order susceptibilities of higher fullerenes are a few times larger than those of C$_{60}$. The magnitude of nonlinearity increases as the optical gap decreases in higher fullerenes. The nonlinearity is nearly proportional to the fourth power of the carbon number when the onsite Coulomb repulsion is $2t$ or $4t$, $t$ being the nearest neighbor hopping integral. This result, indicating important roles of Coulomb interactions, agrees with quantum chemical calculations of higher fullerenes.

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