Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study

Remi Geiger, Sabine H. L. Klapp

Institut für Theoretische Physik, Technische Universit?t Berlin,Berlin, Germany.
Vienna Center for Quantum Science and Technology (VCQ), Technische Universit?t Wien, Wien, Austria.

DOI: 10.4236/jmp.2013.43A056                

Abstract

Using classical density functional theory (DFT) in a modified mean-field approximation we investigate the fluid phase behavior of quasi-two dimensional dipolar fluids confined to a plane. The particles carry three-dimensional dipole moments and interact via a combination of hard-sphere, van-der-Waals, and dipolar interactions. The DFT predicts complex phase behavior involving first- and second-order isotropic-to-ferroelectric transitions, where the ferroelectric ordering is characterized by global polarization within the plane. We compare this phase behavior, particularly the onset of ferroelectric ordering and the related tri-critical points, with corresponding three-dimensional systems, slab-like systems (with finite extension into the third direction), and true two-dimensional systems with two-dimensional dipole moments.

Keywords

Dipole-Dipole Interactions; Dimensionality; Phase Diagram; Density Functional Theory; Long-Range Correlations

Conflicts of Interest

The authors declare no conflicts of interest.

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