Journal of Chemical Physics, Vol.107, No.10, 4061-4069, 1997
Quantitative calculation of spontaneous polarization in ferroelectric liquid crystals
We compute the spontaneous polarization, P, exhibited by a class of ferroelectric liquid crystals (FLCs) with systematically varying structures in an effort to critically test a recently proposed model [D. J. Photinos and E. T. Samulski, Science 270, 783 (1995)] which implies that polarity is indigenous to tilted smectic phases. We evaluate the first and second rank segmental order parameters of the FLC compounds by taking into account the essential features of molecular structure and conformation subjected to the general stratification constraints in the model smectic FLC. The results compare favorably with available experimental values of P and bond order parameters obtained from NMR measurements. (C) 1997 American Institute of Physics.