Zero-point motions in charged C60

X. D. Wang, R. T. Fu, X. Sun, Y. Kawazoe

Research output: Contribution to journalConference article

Abstract

A generalized tight-binding molecular-dynamics (GTBMD) scheme is applied to adjust the phonon-density spectrum and the harmonic vibrational spectrum observed in charged C60. This approach involves the inclusion of directional covalent bonding through the underlying electronic structure described by a generalized tight-binding Hamiltonian. The scheme allows the quantum mechanical nature of the covalent bonding to enter the potential in a natural way.

Original languageEnglish
Pages (from-to)2452-2453
Number of pages2
JournalSynthetic Metals
Volume103
Issue number1-3
DOIs
Publication statusPublished - 1999 Jun 24
EventProceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier
Duration: 1998 Jul 121998 Jul 18

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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    Wang, X. D., Fu, R. T., Sun, X., & Kawazoe, Y. (1999). Zero-point motions in charged C60. Synthetic Metals, 103(1-3), 2452-2453. https://doi.org/10.1016/S0379-6779(98)00735-8