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Geometries and electronic structure of extractable C90 fullerenes

✍ Scribed by Susumu Okada; Susumu Saito

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 643 KB
Volume: 247
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)01167-5

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✦ Synopsis

We study geometries and the electronic structure of C90 fullerenes which possess the experimentally observed symmetries CI, C2, and C2v for C90 isomers extracted from soot but presently unidentified. We use the empirical model potential for the structural optimization of these fullerenes. Then, their electronic structure is obtained by using the tight-binding model which includes not only the transfer-matrix element but also the overlap-matrix element. From the analysis for structural constituent units, i.e. the pentagon arrangement and residual component units other than pentagons, and from their electronic structure obtained, we select several structural candidates for extracted C90 fullerenes.

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