[16p-P2-1~7] 6.1 Ferroelectric thin films

[16p-P2-2] Kink shape in ferroelectric vinylidene fluoride polymer chain

〇(B)Yuto Yamazaki¹, Yoichiro Hashizume¹, Takashi Nakajima¹, Soichiro Okamura¹ (1.Tokyo Univ. of Sci.)

Keywords:vinylidene fluoride, polarization reversal, kink

Ferroelectricity of poly vinylidene fluoride mainly caused by Van der Waals short range interaction, and its polarization reversal proceeds by propagation of kink which is a twist of the molecular chain. But its shape is not well understood. In this study, we calculated the energy difference between "the state in which the molecular chains of the system are completely aligned" and "the state in which there is a kink in the molecular chain" by using the density functional theory method. By comparing the results, we investigated the reasonable shape of the kink at polarization reversal.