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Collective electronic excitations in C60 crystals

Xiaoju Wu and Sergio E. Ulloa
Phys. Rev. B 49, 7825(R) – Published 15 March 1994
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Abstract

We present a theoretical study of the electronic excitations in fullerene crystals by calculating the density-density correlation function in a fully nonlocal linear response theory. Our results indicate that the collective features associates with the π→π* transitions show strong anisotropic properties, with peaks changing by as much as 0.7 eV in different directions. Meanwhile, the calculated mode dispersion exhibits rather weak wave-number dependence along a given direction, in general agreement with experimental results. The oscillator strength also shows anisotropic behavior, with significant weight redistribution for different directions. We also analyze this system in terms of a classical point-dipole array model, and show that this simple model approximates well the quantum results.

  • Received 28 June 1993

DOI:https://doi.org/10.1103/PhysRevB.49.7825

©1994 American Physical Society

Authors & Affiliations

Xiaoju Wu and Sergio E. Ulloa

  • Department of Physics and Astronomy and Condensed Matter and Surface Sciences Program, Ohio University, Athens, Ohio 45701-2979

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Vol. 49, Iss. 11 — 15 March 1994

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