Stability and vibrational spectra of toroidal isomers of C240

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

研究成果: Article査読

2 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)73-76
ページ数4
ジャーナルZeitschrift fur Physik D-Atoms Molecules and Clusters
41
1
DOI
出版ステータスPublished - 1997 6

ASJC Scopus subject areas

  • 原子分子物理学および光学

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