Phases of the hard-plate lattice gas on a three-dimensional cubic lattice

TL;DR

This study investigates the phase transitions of a 3D lattice gas of hard plates, revealing two density-driven transitions: from a disordered fluid to a layered phase, and then to a sublattice-ordered phase, with detailed symmetry breaking and order properties.

Contribution

The paper provides the first detailed Monte Carlo simulation analysis of phase behavior in a 3D lattice gas of $2\times 2\times 1$ plates, identifying the nature of two key phase transitions.

Findings

Disordered to layered transition is continuous, consistent with 3D O(3) universality.

Layered phase exhibits two-dimensional power-law columnar order within slabs.

Transition from layered to sublattice-ordered phase is first-order.

Abstract

We study the phase diagram of a system of $2\times 2\times 1$ hard plates on the three dimensional cubic lattice, {\em i.e.} a lattice gas of plates that each cover an elementary plaquette of the cubic lattice and occupy its four vertices, with the constraint that no two plates occupy the same site of the cubic lattice. We focus on the isotropic system, with equal fugacities for the three orientations of plates. We show, using grand canonical Monte Carlo simulations, that the system undergoes two density-driven phase transitions with increasing density of plates: the first from a disordered fluid to a layered phase, and the second from the layered phase to a sublattice-ordered phase. In the layered phase, the system breaks up into disjoint slabs of thickness two along one spontaneously chosen cartesian direction. Plates with normals perpendicular to this layering direction are preferentially contained entirely within these slabs, while plates straddling two successive slabs have a lower density. Additionally the symmetry between the three types of plates is spontaneously broken, as plates with normal along the layering direction have a lower density than the other two types of plates. Intriguingly, the occupied slabs exhibit two-dimensional power-law columnar order even in the presence of a nonzero density of vacancies. In contrast, inter-slab correlations of the two-dimensional columnar order parameter decay exponentially with the separation between the slabs. In the sublattice-ordered phase, there is two-fold ($Z_2$) breaking of lattice translation symmetry along all three cartesian directions. We present numerical evidence that the disordered to layered transition is continuous and consistent with the three-dimensional $O(3)$ universality class, while the layered to sublattice transition is first-order in nature.