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Vibrational Modes Analysis of Poly (Vinylidene Fluoride-Trifluoroethylene) |
| LI Ji-Chao;WANG Chun-Lei;ZHONG Wei-Lie;LI Zheng-Fa |
| School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Ji’nan 250100 |
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| Cite this article: |
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LI Ji-Chao, WANG Chun-Lei, ZHONG Wei-Lie et al 2003 Chin. Phys. Lett. 20 921-923 |
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Abstract The ground state geometry and vibrational modes of poly (vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] molecular chains have been investigated by ab initio molecular orbital calculation. The gauche bonds in P(VDF-TrFE) are introduced by TrFE monomers. The vibrational modes are localized within all-trans segments. These results cause the infrared absorption weaker and diffused, and may be responsible for dielectric relaxation of the copolymers.
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| Keywords:
77.80.-e
71.15.Pd
77.22.GM
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Published: 01 June 2003
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| PACS: |
77.80.-e
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(Ferroelectricity and antiferroelectricity)
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71.15.Pd
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(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
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77.22.Gm
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(Dielectric loss and relaxation)
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