ELECTRONIC-STRUCTURE AND NONLINEAR-OPTICAL PROPERTIES OF FULLERENES

Authors
SHUAI Z BREDAS JL
Citation
Z. Shuai et Jl. Bredas, ELECTRONIC-STRUCTURE AND NONLINEAR-OPTICAL PROPERTIES OF FULLERENES, Synthetic metals, 56(2-3), 1993, pp. 2973-2978
Citations number
23
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Mining
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
56
Issue
2-3
Year of publication
1993
Pages
2973 - 2978
Database
ISI
SICI code
0379-6779(1993)56:2-3<2973:EANPOF>2.0.ZU;2-A
Abstract
We discuss the lattice relaxation upon doping of fullerens C60 and C70 , using a Longuet-Higgins-Salem model and we calculate the A(g)-type v ibrational modes. We then exploit the VEH (valence effective Hamiltoni an) method to study the electronic structures of the fullerenes. The v alence electronic DOS (densities of states) are calculated to be in ex cellent agreement with synchrotron photoemission experiments. We apply the VEH/SOS (Sum-Over-States) approach to study the nonlinear optical response of C60 and C70.