Far-infrared vibrational properties of linear (formula presented) polymers: A comparison between neutral and charged materials

Z. T. Zhu, J. L. Musfeldt, K. Kamarás, G. B. Adams, J. B. Page, L. S. Kashevarova, A. V. Rakhmanina, V. A. Davydov

Research output: Contribution to journalArticle

Abstract

We report the far-infrared transmittance spectrum of a pure phase of the orthorhombic high-temperature and high-pressure (formula presented) polymer and compare the results with a previously published spectrum of the charged (formula presented) orthorhombic polymer. Assignments for both spectra are made with the aid of first-principles quantum molecular dynamics simulations of the two materials. We find that the striking spectral differences between the neutral and charged linear fullerene polymers can be fully accounted for by charge effects on the (formula presented) ball.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number4
DOIs
Publication statusPublished - Jan 29 2003

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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