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Stability and vibrational spectra of toroidal isomers of C 240

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

To study the thermodynamic and mechanical stability of toroidal isomers of C 240, 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.

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Authors and Affiliations

  1. Institute for Materials Research, Tohoku University, Sendai, 980-77, Japan

    Keivan Esfarjani & Yoshiyuki Kawazoe

  2. Hitachi Tohoku Software, Ltd., Sendai, 980, Japan

    Yuichi Hashi

  3. Central Research Laboratory, Hitachi Ltd., Kokubunji, Tokyo, 185, Japan

    Satoshi Itoh & Sigeo Ihara

Authors
  1. Keivan Esfarjani
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  2. Yuichi Hashi
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  3. Satoshi Itoh
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  4. Sigeo Ihara
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  5. Yoshiyuki Kawazoe
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Esfarjani, K., Hashi, Y., Itoh, S. et al. Stability and vibrational spectra of toroidal isomers of C 240 . Z Phys D - Atoms, Molecules and Clusters 41, 73–76 (1997). https://doi.org/10.1007/s004600050292

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  • DOI: https://doi.org/10.1007/s004600050292

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