Crossover from First to Second-Order Transition in Frustrated Ising Antiferromagnetic Films

TL;DR

This study investigates how the phase transition in frustrated Ising antiferromagnetic films changes from first to second order as the film thickness decreases, revealing a crossover at four atomic layers with distinct surface and interior behaviors.

Contribution

It demonstrates the crossover from first to second-order phase transition in frustrated Ising films as a function of thickness using Monte Carlo simulations and Green's function methods.

Findings

Transition remains first order down to four FCC cells

Second-order transition occurs at two FCC cells (four atomic layers)

Surface magnetization is larger than interior and undergoes a second-order transition

Abstract

In the bulk state, the Ising FCC antiferromagnet is fully frustrated and is known to have a very strong first-order transition. In this paper, we study the nature of this phase transition in the case of a thin film, as a function of the film thickness. Using Monte Carlo (MC) simulations, we show that the transition remains first order down to a thickness of four FCC cells. It becomes clearly second order at a thickness of two FCC cells, i.e. four atomic layers. It is also interesting to note that the presence of the surface reduces the ground state (GS) degeneracy found in the bulk. For the two-cell thickness, the surface magnetization is larger than the interior one. It undergoes a second-order phase transition at a temperature $T_C$ while interior spins become disordered at a lower temperature $T_D$. This loss of order is characterized by a peak of the interior spins susceptibility and a peak of the specific heat which do not depend on the lattice size suggesting that either it is not a real transition or it is a Kosterlitz-Thouless nature. The surface transition, on the other hand, is shown to be of second order with critical exponents deviated from those of pure 2D Ising universality class. We also show results obtained from the Green's function method. Discussion is given.