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Physical Review Letters

Critical Wetting with Short-Range Forces: Is Mean-Field Theory Valid?

Kurt Binder, D. P. Landau, D. M. Kroll

Published May 26, 1986• 156 citations
Publisher

Abstract

Critical and tricritical wetting transitions are studied in a simple-cubic nearest-neighbor Ising model. The magnetization ${m}_{1}$ in the surface layer and the susceptibilities ${\ensuremath{\chi}}_{11}=\frac{\ensuremath{\partial}{m}_{1}}{\ensuremath{\partial}{H}_{1}}$ and ${\ensuremath{\chi}}_{1}=\frac{\ensuremath{\partial}{m}_{1}}{\ensuremath{\partial}H}$, where ${H}_{1}$ is the surface field and $H$ the bulk field, are calculated by use of Monte Carlo methods. The critical behavior of these quantities is found to be consistent with simple mean-field behavior; the singularities predicted by various renormalization-group treatments are not observed.

DOI
10.1103/physrevlett.56.2272

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Critical and tricritical wetting transitions are studied in a simple-cubic nearest-neighbor Ising model. The magnetization m1{m}_{1}m1​ in the surface layer and the susceptibilities \ensuremathχ11=\ensuremath∂m1\ensuremath∂H1{\ensuremath{\chi}}_{11}=\frac{\ensuremath{\partial}{m}_{1}}{\ensuremath{\partial}{H}_{1}}\ensuremathχ11​=\ensuremath∂H1​\ensuremath∂m1​​ and \ensuremathχ1=\ensuremath∂m1\ensuremath∂H{\ensuremath{\chi}}_{1}=\frac{\ensuremath{\partial}{m}_{1}}{\ensuremath{\partial}H}\ensuremathχ1​=\ensuremath∂H\ensuremath∂m1​​, where H1{H}_{1}H1​ is the surface field and HHH the bulk field, are calculated by use of Monte Carlo methods. The critical behavior of these quantities is found to be consistent with simple mean-field behavior; the singularities predicted by various renormalization-group treatments are not observed.
A long-standing problem in condensed matter physics concerns the nature of the critical wetting phase transition in the Ising model or, more generally, in 3D systems with short-ranged forces.This is of fundamental interest because 3D corresponds to the upper critical dimension of the transition and it is not clear a priori whether the behaviour of the system will be mean-field-like or fluctuation-dominated.Renormalization group studies of the standard coarse-grained effective interfacial Hamiltonian model famously predict strong non-universal critical exponents which depend on the value of the so-called wetting parameter ω.However, these predictions are at odds with extensive Monte Carlo simulations of wetting in the Ising model, due to Binder, Landau and coworkers, which appear to be more mean-field-like.Further amendments to the interfacial Hamiltonian, which included the presence of a position-dependent stiffness, worsened the problem by paradoxically predicting fluctuation-induced first-order wetting behaviour.Here we show from re-analysis of a microscopic Landau-Ginzburg-Wilson model of 3D short-ranged wetting that correlation functions are characterized by two diverging parallel length scales, not one, as previously thought.This has a simple diagrammatic explanation using a non-local interfacial Hamiltonian and yields a thermodynamically consistent theory of wetting in keeping with exact sum rules.The non-local model crucially contains long-ranged two-body interfacial interactions, characterized by the new length scale, which were missing in earlier treatments.For critical wetting the second length cuts off the spectrum of interfacial fluctuations determining the repulsion from the wall.We show how this corrects previous renormalization group predictions for fluctuation effects, based on local interfacial Hamiltonians.In particular, lowering the cut-off leads to a substantial reduction in the effective value of the wetting parameter controlling the non-universality and also prevents the transition being driven first-order.Quantitative comparison with the Ising model simulation studies is also made.
The effect of edge on wetting and layering transitions of a three-dimensional spin-1/2 Ising model is investigated, in the presence of longitudinal and surface magnetic fields, using mean field theory and Monte Carlo simulations. For T=0, the ground state phase diagram shows that there exist only three allowed transitions, namely, surface and bulk transition, surface transition, and bulk transition. However, there exist a surface intralayering temperature T(s)(L), above which the surface and the intralayering surface transitions occur. While the bulk layering and intralayering transitions appear above another finite temperature T(b)(L)(>or=T(s)(L)). These surface and bulk intralayering transitions are not seen in the perfect surfaces case. Numerical values of T(s)(L) and T(b)(L), computed by Monte Carlo method are found to be smaller than those obtained using mean field theory. However, the results predicted by the two methods become similar, and are exactly those given by the ground state phase diagram, for very low temperatures. On the other hand, the behavior of the local magnetizations as a function of the external magnetic field, shows that the transitions are of the first order type. T(s)(L) and T(b)(L) decrease when increasing the system size and/or the surface magnetic field. In particular, T(b)(L) reaches the wetting temperature T(w) for sufficiently large system sizes.
We have used a vectorized multispin-coding Monte Carlo method to determine the behavior of the surface-layer magnetization m1{\mathit{m}}_{1}m1​ at the bulk transition in a simple-cubic Ising film with strongly enhanced surface coupling, i.e., at the extraordinary transition. In contrast to recent renormalization-group calculations we find no evidence for a discontinuous slope in the temperature dependence of m1{\mathit{m}}_{1}m1​; the data are consistent with a free-energy-like (T-Tc{\mathit{T}}_{\mathit{c}}Tc​${)}^{2\mathrm{\ensuremath{-}}\mathrm{\ensuremath{\alpha}}}$ behavior plus background terms.
Monte Carlo data for a simple cubic Ising antiferromagnet with nearest- and next-nearest-neighbor interactions reveal asymptotic tricritical behavior of the order parameter which is mean-field-like modified by logarithmic corrections and high-temperature susceptibilities which are mean-field-like without corrections, in agreement with renormalization-group calculations. Crossover between tricritical and critical behavior is observed in the temperature variation of the order parameter and high-temperature susceptibility.
With use of a novel Monte Carlo method suited for the study of surface phenomena, the authors have investigated a three-dimensional Ising model with modified surface exchange. The results verify the scaling behavior of the magnetization profile and confirm and extend renormalization-group predictions. The surface-layer magnetization exponent is ${\ensuremath{\beta}}_{1}=0.78\ifmmode\pm\else\textpm\fi{}0.02$ except at the "special" (multicritical) transition where ${{\ensuremath{\beta}}_{1}}^{m}=0.175\ifmmode\pm\else\textpm\fi{}0.025$ and the crossover exponent is $\ensuremath{\phi}=0.56\ifmmode\pm\else\textpm\fi{}0.04$.
The phase diagrams of Ising antiferromagnets in a magnetic field HHH are investigated for various values of the ratio RRR between nearest- and next-nearest-neighbor interaction. While meanfield approximations and the existing real-space renormalization-group treatments yield phase diagrams which are sometimes even qualitatively incorrect, accurate results are obtained from Monte Carlo calculations. For R<0R<0R<0 only an antiferromagnetically ordered phase exists. Its transition to the disordered phase is first order for temperatures below the tricritical point (Tt{T}_{t}Tt​,Ht{H}_{t}Ht​). For $R\ensuremath{\rightarrow}0$ also ${T}_{t}\ensuremath{\rightarrow}0$. For R=0R=0R=0 we find very good agreement with the results of M\"uller-Hartmann and Zittartz. For R>0R>0R>0 and H1<H<H2{H}_{1}<H<{H}_{2}H1​<H<H2​ a new phase with anomalous high ground-state degeneracy is found (two sublattices have only one-dimensional order). These sublattices undergo order-disorder transitions at T=0T=0T=0, such that for T>0T>0T>0 one is left with a "superantiferromagnetic" phase. At low temperatures in this phase a pronounced tendency is observed to form a simpler (2 \ifmmode\times\else\texttimes\fi{} 2) superstructure but with many antiphase domain boundaries. For $R\ensuremath{\rightarrow}\frac{1}{2}$ and H<H1H<{H}_{1}H<H1​ the regime of the antiferromagnetic phases goes to zero temperature, while for R>12R>\frac{1}{2}R>21​ the superantiferromagnetic phase exists also for H<H1H<{H}_{1}H<H1​. The order-disorder transition associated with this phase seems to have non-Ising critical exponents which vary as a function of RRR and HHH. Estimates for the exponents lead us to suggest that Suzuki's "weak universality" is valid. The behavior of the model at T=0T=0T=0 is related to known results on hard-core lattice gases. It is shown that it is useful to interpret the transitions at T=0T=0T=0 as generalized percolation transitions. Since the model may have applications to adsorbate phases in registered structures at (100) surfaces of cubic crystals, the transcription of our results to temperature-coverage phase diagrams and adsorption isotherms is discussed in detail, and possible experimental applications are mentioned.