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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…
cond-mat.mtrl-sci2004
Structural and effective charge determination for planar-zigzag beta-poly(vinylidene fluoride)
Nicholas J. Ramer, Kimberly A. Stiso
We present the computation of structural and polarization for a ferroelectric polymer, specifically, the beta-phase of poly(vinylidene fluoride) or (-CH-CF-). Two struc…