Chin. Phys. Lett.  2003, Vol. 20 Issue (6): 921-923    DOI:
Original Articles |
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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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.

Keywords: 77.80.-e      71.15.Pd      77.22.GM     
Published: 01 June 2003
PACS:  77.80.-e (Ferroelectricity and antiferroelectricity)  
  71.15.Pd (Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)  
  77.22.Gm (Dielectric loss and relaxation)  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y2003/V20/I6/0921
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LI Ji-Chao
WANG Chun-Lei
ZHONG Wei-Lie
LI Zheng-Fa
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