Comparison of polarization and Born effective charges in alternatively-deflected zigzag and planar-zigzag $beta$-poly(vinylidene fluoride)

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dc.creatorRamer, Nicholas J.
dc.creatorStiso, Kimberly A.
dc.date2004-11-22
dc.date.accessioned2026-07-07T03:02:16Z
dc.date.available2026-07-07T03:02:16Z
dc.descriptionA density-functional study of the alternatively-deflected zigzag structure for the beta-phase of poly(vinylidene fluoride) or (-CH2-CF2-)n is presented. Structure, polarization and effective charges have been determined. Using lattice constants and atomic positions transformed from experiment, the space group for the alternatively-deflected zigzag structure was found to be Cc2m (C2v 16), in agreement with previous studies. We find a polarization for the alternatively-deflected structure identical to that of the planar-zigzag structure with small changes in the accompanying effective charges.
dc.description19 pages, 2 figures, 4 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0411564
dc.identifierhttp://arxiv.org/abs/cond-mat/0411564
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/25337
dc.subjectMaterials Science
dc.titleComparison of polarization and Born effective charges in alternatively-deflected zigzag and planar-zigzag $beta$-poly(vinylidene fluoride)
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