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Proceedings Paper

Electronic and vibrational spectroscopy of fullerene-based materials
Author(s): Mark R. Pederson; Dirk V. Porezag; Joe L. Feldman; Brian N. Davidson; Andrew A. Quong; T. Kohler; T. Frauenheim
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Paper Abstract

Recent work on the electronic and vibrational spectra of fullerenes and fullerene assembled materials is discussed. To aid in identifying the potentially useful polymeric phase of fullerene-based materials we compare various aspects of the spectra of the isolated and dimerized fullerene molecules. We discuss the core-level shifts of the spectra that are induced by polymerization and the changes in the electronic density of states near the Fermi level. We discuss three qualitative changes that are expected to occur in the vibrational spectrum upon polymerization and present the calculated infrared (IR) and Raman vibrational spectra for both the isolated and dimerized fullerenes. Some of the energetics associated with dimerization are also briefly discussed.

Paper Details

Date Published: 8 December 1995
PDF: 7 pages
Proc. SPIE 2530, Fullerenes and Photonics II, (8 December 1995); doi: 10.1117/12.228113
Show Author Affiliations
Mark R. Pederson, Naval Research Lab. (United States)
Dirk V. Porezag, Technische Univ. Chemnitz (Germany)
Joe L. Feldman, Naval Research Lab. (United States)
Brian N. Davidson, Naval Research Lab. (United States)
Andrew A. Quong, Sandia National Labs. (United States)
T. Kohler, Technische Univ. Chemnitz (Germany)
T. Frauenheim, Technische Univ. Chemnitz (Germany)

Published in SPIE Proceedings Vol. 2530:
Fullerenes and Photonics II
Zakya H. Kafafi, Editor(s)

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