Stability and vibrational spectra of toroidal isomers of C240

Keivan Esfarjani, Yuichi Hashi, Satoshi Itoh, Sigeo Ihara, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

To study the thermodynamic and mechanical stability of toroidal isomers of C240, we use a semi-empirical tight-binding theory and calculate their electronic structure, cohesive energy and vibrational spectra within the harmonic approximation. From these, we deduce their free energy at temperatures up to 1500K. The results are also compared to the isomer with icosahedral symmetry. Finally, we discuss within this approach, their stability and abundance.

Original languageEnglish
Pages (from-to)73-76
Number of pages4
JournalZeitschrift fur Physik D-Atoms Molecules and Clusters
Volume41
Issue number1
DOIs
Publication statusPublished - 1997 Jun

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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