PAb02 MDによる反強誘電物質の構造と電場応答の研究

抄録

The structure and switching of five antiferroelectric mesogens are studied by NTP-MD simulation. The conformations of the end chains in the smectic phase are compared with those at an isolated single molecule estimated by the method of molecular orbitals, where the bending angle of the chiral chain as well as the angle of the achiral one is shown to be enhanced. The tilt angles obtained here are in well agreement with the experimental ones. The response of the anticlinic alignment to the transverse electric is also tested.