Volume 46 Issue 4, April 2014

Volume 46 Issue 4

The electric structure of poly(vinylidene fluoride) is calculated to obtain the spontaneous polarization that reflects ferroelectric cooperative interaction. Structure, HOMO and zero-equipotential surface of form I crystalare schematically illustrated.

Akira Itoh, Yoshiyuki Takahashi, Takeo Furukawa and Hirofumi Yajima,

Solid-state calculations of poly(vinylidene fluoride) using the hybrid DFT method: spontaneous polarization ofpolymorphs on page 207.

Original Articles