Vibrational properties of ferroelectric β -vinylidene fluoride polymers and oligomers

Serge M. Nakhmanson, R. Korlacki, J. Travis Johnston, Stephen Ducharme, Zhongxin Ge, James M Takacs

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

We utilize a plane-wave density-functional theory approach to investigate the vibrational properties of the all-trans ferroelectric phase of poly(vinylidene fluoride) (β-PVDF) showing that its stable state corresponds to the Ama2 structure with ordered dihedral tilting of the VDF monomers along the polymer chains. We then combine our theoretical analysis with IR spectroscopy to examine vibrations in oligomer crystals that are structurally related to the β-PVDF phase. We demonstrate that these materials-which can be grown in a highly crystalline form-exhibit IR activity similar to that of β-PVDF, making them an attractive choice for the studies of electroactive phenomena and phase transitions in polymer ferroelectrics.

Original languageEnglish (US)
Article number174120
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number17
DOIs
StatePublished - May 27 2010

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vinylidene
oligomers
Oligomers
Ferroelectric materials
fluorides
Polymers
polymers
Density functional theory
Infrared spectroscopy
plane waves
monomers
Monomers
Phase transitions
density functional theory
Crystalline materials
vibration
Crystals
spectroscopy
crystals
polyvinylidene fluoride

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Vibrational properties of ferroelectric β -vinylidene fluoride polymers and oligomers. / Nakhmanson, Serge M.; Korlacki, R.; Johnston, J. Travis; Ducharme, Stephen; Ge, Zhongxin; Takacs, James M.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 81, No. 17, 174120, 27.05.2010.

Research output: Contribution to journalArticle

Nakhmanson, Serge M. ; Korlacki, R. ; Johnston, J. Travis ; Ducharme, Stephen ; Ge, Zhongxin ; Takacs, James M. / Vibrational properties of ferroelectric β -vinylidene fluoride polymers and oligomers. In: Physical Review B - Condensed Matter and Materials Physics. 2010 ; Vol. 81, No. 17.
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