Boundary Criticality of the 3D O(N) Model: From Normal to Extraordinary.

It was recently realized that the three-dimensional O(N) model possesses an extraordinary boundary universality class for a finite range of N≥2. For a given N, the existence and universal properties of this class are predicted to be controlled by certain amplitudes of the normal universality class, where one applies an explicit symmetry breaking field to the boundary. In this Letter, we study the normal universality class for N=2, 3 using Monte Carlo simulations on an improved lattice model and extract these universal amplitudes. Our results are in good agreement with direct Monte Carlo studies of the extraordinary universality class serving as a nontrivial quantitative check of the connection between the normal and extraordinary classes.

Finite-size scaling at fixed renormalization-group invariant.

Finite-size scaling at fixed renormalization-group invariant is a powerful and flexible technique to analyze Monte Carlo data at a critical point. It consists in fixing a given renormalization-group invariant quantity to a given value, thereby trading its statistical fluctuations with those of a parameter driving the transition. One remarkable feature is the observed significant improvement of statistical accuracy of various quantities, as compared to a standard analysis. We review the method, discussing in detail its implementation, the error analysis, and a previously introduced covariance-based optimization. Comprehensive benchmarks on the Ising model in two and three dimensions show large gains in the statistical accuracy, which are due to cross-correlations between observables. As an application, we compute an accurate estimate of the inverse critical temperature of the improved O(2) ϕ^{4} model on a three-dimensional cubic lattice.

Boundary Critical Behavior of the Three-Dimensional Heisenberg Universality Class.

We study the boundary critical behavior of the three-dimensional Heisenberg universality class, in the presence of a bidimensional surface. By means of high-precision Monte Carlo simulations of an improved lattice model, where leading bulk scaling corrections are suppressed, we prove the existence of a special phase transition, with unusual exponents, and of an extraordinary phase with logarithmically decaying correlations. These findings contrast with naïve arguments on the bulk-surface phase diagram, and allow us to explain some recent puzzling results on the boundary critical behavior of quantum spin models.

Entanglement Hamiltonian of Interacting Fermionic Models.

Recent numerical advances in the field of strongly correlated electron systems allow the calculation of the entanglement spectrum and entropies for interacting fermionic systems. An explicit determination of the entanglement (modular) Hamiltonian has proven to be a considerably more difficult problem, and only a few results are available. We introduce a technique to directly determine the entanglement Hamiltonian of interacting fermionic models by means of auxiliary field quantum Monte Carlo simulations. We implement our method on the one-dimensional Hubbard chain partitioned into two segments and on the Hubbard two-leg ladder partitioned into two chains. In both cases, we study the evolution of the entanglement Hamiltonian as a function of the physical temperature.

Finite-size effects in canonical and grand-canonical quantum Monte Carlo simulations for fermions.

We introduce a quantum Monte Carlo method at finite temperature for interacting fermionic models in the canonical ensemble, where the conservation of the particle number is enforced. Although general thermodynamic arguments ensure the equivalence of the canonical and the grand-canonical ensembles in the thermodynamic limit, their approach to the infinite-volume limit is distinctively different. Observables computed in the canonical ensemble generically display a finite-size correction proportional to the inverse volume, whereas in the grand-canonical ensemble the approach is exponential in the ratio of the linear size over the correlation length. We verify these predictions by quantum Monte Carlo simulations of the Hubbard model in one and two dimensions in the grand-canonical and the canonical ensemble. We prove an exact formula for the finite-size part of the free energy density, energy density and other observables in the canonical ensemble and relate this correction to a susceptibility computed in the corresponding grand-canonical ensemble. This result is confirmed by an exact computation of the one-dimensional classical Ising model in the canonical ensemble, which for classical models corresponds to the so-called fixed-magnetization ensemble. Our method is useful for simulating finite systems which are not coupled to a particle bath, such as in nuclear or cold atom physics.

Coexistence of charge and ferromagnetic order in fcc Fe.

Phase coexistence phenomena have been intensively studied in strongly correlated materials where several ordered states simultaneously occur or compete. Material properties critically depend on external parameters and boundary conditions, where tiny changes result in qualitatively different ground states. However, up to date, phase coexistence phenomena have exclusively been reported for complex compounds composed of multiple elements. Here we show that charge- and magnetically ordered states coexist in double-layer Fe/Rh(001). Scanning tunnelling microscopy and spectroscopy measurements reveal periodic charge-order stripes below a temperature of 130 K. Close to liquid helium temperature, they are superimposed by ferromagnetic domains as observed by spin-polarized scanning tunnelling microscopy. Temperature-dependent measurements reveal a pronounced cross-talk between charge and spin order at the ferromagnetic ordering temperature about 70 K, which is successfully modelled within an effective Ginzburg-Landau ansatz including sixth-order terms. Our results show that subtle balance between structural modifications can lead to competing ordering phenomena.

Critical Casimir force in the presence of random local adsorption preference.

We study the critical Casimir force for a film geometry in the Ising universality class. We employ a homogeneous adsorption preference on one of the confining surfaces, while the opposing surface exhibits quenched random disorder, leading to a random local adsorption preference. Disorder is characterized by a parameter p, which measures, on average, the portion of the surface that prefers one component, so that p=0,1 correspond to homogeneous adsorption preference. By means of Monte Carlo simulations of an improved Hamiltonian and finite-size scaling analysis, we determine the critical Casimir force. We show that by tuning the disorder parameter p, the system exhibits a crossover between an attractive and a repulsive force. At p=1/2, disorder allows to effectively realize Dirichlet boundary conditions, which are generically not accessible in classical fluids. Our results are relevant for the experimental realizations of the critical Casimir force in binary liquid mixtures.

Critical Casimir forces between homogeneous and chemically striped surfaces.

Recent experiments have measured the critical Casimir force acting on a colloid immersed in a binary liquid mixture near its continuous demixing phase transition and exposed to a chemically structured substrate. Motivated by these experiments, we study the critical behavior of a system, which belongs to the Ising universality class, for the film geometry with one planar wall chemically striped, such that there is a laterally alternating adsorption preference for the two species of the binary liquid mixture, which is implemented by surface fields. For the opposite wall we employ alternatively a homogeneous adsorption preference or homogeneous Dirichlet boundary conditions, which within a lattice model are realized by open boundary conditions. By means of mean-field theory, Monte Carlo simulations, and finite-size scaling analysis we determine the critical Casimir force acting on the two parallel walls and its corresponding universal scaling function. We show that in the limit of stripe widths small compared with the film thickness, on the striped surface the system effectively realizes Dirichlet boundary conditions, which generically do not hold for actual fluids. Moreover, the critical Casimir force is found to be attractive or repulsive, depending on the width of the stripes of the chemically patterned surface and on the boundary condition applied to the opposing surface.

Improvement of Monte Carlo estimates with covariance-optimized finite-size scaling at fixed phenomenological coupling.

In the finite-size scaling analysis of Monte Carlo data, instead of computing the observables at fixed Hamiltonian parameters, one may choose to keep a renormalization-group invariant quantity, also called phenomenological coupling, fixed at a given value. Within this scheme of finite-size scaling, we exploit the statistical covariance between the observables in a Monte Carlo simulation in order to reduce the statistical errors of the quantities involved in the computation of the critical exponents. This method is general and does not require additional computational time. This approach is demonstrated in the Ising model in two and three dimensions, where large gain factors in CPU time are obtained.

Universality of the glassy transitions in the two-dimensional ±J Ising model.

We investigate the zero-temperature glassy transitions in the square-lattice ±J Ising model, with bond distribution P(J{xy})=pδ(J{xy}-J)+(1-p)δ(J{xy}+J) ; p=1 and p=1/2 correspond to the pure Ising model and to the Ising spin glass with symmetric bimodal distribution, respectively. We present finite-temperature Monte Carlo simulations at p=4/5 , which is close to the low-temperature paramagnetic-ferromagnetic transition line located at p≈0.89 , and at p=1/2 . Their comparison provides a strong evidence that the glassy critical behavior that occurs for 1-p{0}