The three species monomer-monomer model: A mean-field analysis and Monte Carlo study

TL;DR

This paper investigates a one-dimensional three-species monomer-monomer surface reaction model, revealing its phase diagram, critical behavior, and universality classes through Monte Carlo simulations and mean-field analysis.

Contribution

It provides a detailed phase diagram and critical behavior analysis, including the identification of universality classes and the role of correlations in mean-field predictions.

Findings

Reactive phase transitions are continuous and belong to the directed percolation class.

Poisoned phase transitions are first-order with bicritical points.

Mean-field analysis requires triplet correlations for qualitative accuracy.

Abstract

We study the phase diagram and critical behavior of a one dimensional three species monomer-monomer surface reaction model. Static Monte Carlo simulations show a phase diagram consisting of a reactive steady state bordered by three equivalent unreactive phases where the surface is saturated with one monomer species. The transitions from the reactive to saturated phases are all continuous, while the transitions between poisoned phases are first-order, with bicritical points where the reactive phase meets two poisoned phases. A mean-field cluster analysis predicts all of the qualitative features of the phase diagram only when correlations up to triplets of adjacent sites are included. Dynamic Monte Carlo simulations show that the transition from the reactive to a saturated phase show critical behavior in the directed percolation universality class, while the bicritical point shows critical behavior in the even branching annihilating random walk class. The crossover from bicritical to critical behavior is also studied.