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cond-mat.mtrl-sci2005
Structure and Born effective charge determination for planar-zigzag <beta>-poly(vinylidene fluoride) using density-functional theory
Nicholas J. Ramer, Kimberly A. Stiso
Two structures have been proposed in the literature for the b-phase of the ferroelectric polymer, poly(vinylidene fluoride) (b-PVDF); planar-zigzag and alternatively-deflected form…
cond-mat.mtrl-sci2004
Comparison of polarization and Born effective charges in alternatively-deflected zigzag and planar-zigzag -poly(vinylidene fluoride)
Nicholas J. Ramer, Kimberly A. Stiso
A 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…