Ground states of large icosahedral fullerenes

Riichiro Saito, G. Dresselhaus, M. S. Dresselhaus

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

The ground states for large icosahedral fullerenes and for C60n molecular ions (-6≤n≤+1) are treated starting from full rotational symmetry and the use of Hund's rule. Treating the icosahedral symmetry as a subgroup of the full rotational group, the icosahedral symmetry of these molecular states is introduced. A method to calculate the electronic structures for the icosahedral molecules and ions is formulated for large fullerenes using a spherical harmonic expansion on a sphere, and the calculated results for C60 are compared with molecular orbital calculations.

Original languageEnglish
Pages (from-to)9906-9909
Number of pages4
JournalPhysical Review B
Volume46
Issue number15
DOIs
Publication statusPublished - 1992 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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