Ferroelectric nematic phase in the system of perfectly aligned cyllindrically symmetric rods

Abstract: The recent experimental discovery of ferroelectric and splay nematic phases has sparked interest in comprehending the crucial molecular features necessary to stabilize these innovative structures. This study advances the ongoing discourse by investigating the significance of both molecular elongation and the distribution of molecular dipoles along the main molecular axis. Using Density Functional Theory, we have established that a molecular shape characterized by cylindrical symmetry and the presence of strong parallel dipoles along the symmetry axis can lead to the self-assembly of a ferroelectric nematic, which is more stable than the conventional uniaxial nematic phase. Additionally, we provide criteria for achieving an optimal dipole distribution along the molecular axis.