Electronic structure and nonlinear optical properties of fullerenes

Z. Shuai*, J. L. Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


We discuss the lattice relaxation upon doping of fullerens C60 and C70, using a Longuet-Higgins-Salem model and we calculate the A8-type vibrational modes. We then exploit the VEH (valence effective Hamiltonian) method to study the electronic structures of the fullerenes. The valence electronic DOS (densities of states) are calculated to be in excellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C60 and C70.

Original languageEnglish (US)
Pages (from-to)2973-2978
Number of pages6
JournalSynthetic Metals
Issue number2-3
StatePublished - Apr 5 1993
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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