Monte Carlo Study of the Effect of Initial States and Structural Defects on Nonequilibrium Critical Behavior of the Three-Dimensional Ising Model

The effect of various initial magnetizations m₀ and structural defects the nonequilibrium critical behavior of the three-dimensional Ising model is numerically studied. Based on an analysis of the time dependence of the magnetization and the two-time dependence of the autocorrelation function and dynamic susceptibility, the significant effect of initial states on relaxation magnetizations and aging effects characterized by anomalous relaxation inhibition and correlation in the system with increasing waiting time was revealed. The fluctuation–dissipation theorem violation was studied, and the values of the limit fluctuation–dissipation ratio (FDR) are calculated. It is shown that two universality subclasses can be distinguished in the nonequilibrium critical behavior of the three-dimensional Ising model with random initial magnetization m₀ These subclasses correspond to the system evolution from the high-temperature (m₀ = 0) and low-temperature (m₀ = 1) initial states with limit FDRs characteristic of these states.     

Effects of Superaging and Percolation Crossover on the Nonequilibrium Critical Behavior of the Two-Dimensional Disordered Ising Model

A Monte Carlo study of the specific features of the nonequilibrium critical behavior has been performed for the two-dimensional “pure” and structurally disordered Ising models in the course of their evolution from the low-temperature initial state at spin concentrations p = 1.0, 0.9, and 0.8. It is shown for the first time that the pinning of domain walls by structural defects leads to the anomalously strong slowing down in the evolution of the autocorrelation function characterized by the superaging effect with exponents μ = 6.25(5) and μ = 6.75(5) for the model with the spin concentrations p = 0.9 and 0.8, respectively. The pure model exhibits the conventional aging with the exponent μ = 1. It is found that the superaging effects in structurally disordered systems lead to vanishing of the limiting fluctuation?dissipation ratio X^∞, whereas X^∞ = 0.751(24) for the pure model.     

Superaging and Subaging Phenomena in a Nonequilibrium Critical Behavior of the Structurally Disordered Two-Dimensional XY Model

A Monte Carlo numerical simulation of the specific features of nonequilibrium critical behavior is carried out for the two-dimensional structurally disordered XY model during its evolution from a low-temperature initial state. On the basis of the analysis of the two-time dependence of autocorrelation functions and dynamic susceptibility for systems with spin concentrations of p = 1.0, 0.9, and 0.6, aging phenomena characterized by a slowing down of the relaxation system with increasing waiting time and the violation of the fluctuation–dissipation theorem (FDT) are revealed. The values of the universal limiting fluctuation–dissipation ratio (FDR) are obtained for the systems considered. As a result of the analysis of the two-time scaling dependence for spin–spin and connected spin autocorrelation functions, it is found that structural defects lead to subaging phenomena in the behavior of the spin–spin autocorrelation function and superaging phenomena in the behavior of the connected spin autocorrelation function.     

The influence of chromium impurity centers on the critical properties of a weakly polar ferroelectric Li<Subscript>2</Subscript>Ge<Subscript>7</Subscript>O<Subscript>15</Subscript>

The Cr³⁺ EPR spectra of Li₂Ge₇O₁₅ (LGO) crystals are analyzed in the temperature range of the ferroelectric phase transition. The temperature dependence of the local order parameter is determined from the measured splittings of the EPR lines in the polar phase. The experimental critical exponent of the order parameter β=0.31 in the range from the phase transition temperature T _C to (T _C -T) ～ 40 K corresponds to the critical exponent of the three-dimensional Ising model. Analysis of the available data demonstrates that, away from the phase transition temperature T _C , the macroscopic and local properties of LGO crystals are characterized by a crossover from the fluctuation behavior to the classical behavior described in terms of the mean-field theory. The temperature dependence of the local order parameter for LGO: Cr crystals does not exhibit a crossover from the Ising behavior (β=0.31) to the classical behavior (β=0.5). This is explained by the defect nature of Cr³⁺ impurity centers, which weaken the spatial correlations in the LGO host crystal. The specific features of the critical properties of LGO: Cr³⁺ crystals are discussed within a microscopic model of structural phase transitions.     

The effect of non-linear capacitances in the localization properties of aperiodic dual electric transmission lines

This study investigates the localization properties of dual electric transmission lines with non-linear capacitances. The V_C,n voltage across each capacitor is selected as a non-linear function of the electric charge q_n, i.e., V_C,n = q_n(1/C_n -ε_n|q_n|²)where C_n is the linear part of the capacitance and ε_n the amplitude of the non-linear term. We follow a binary distribution of values of ε_n, according to the Thue-Morse m-tupling sequence. The localization behavior of this non-linear case indicates that the case m = 2 does not belong to the m ≥ 3, family because when m changes from m = 2 to m = 3, the number of extended states diminishes dramatically. This proves the topological difference of the m = 2 and m = 3 families. However, by increasing m values, localization behavior of the m-tupling family resembles that of the m = 2, case because the system begins to regain its extended states. The exact same result was obtained recently in the study of linear direct transmission lines with m-tupling distribution of inductances. Consequently, we state that the localization behavior of the m-tupling family as a function of the m value is independent of both the linear and the non-linear system under study, but independent of the kind of transmission line (dual or direct). This is curious behavior of the m-tupling family and thus deserves more scholarly attention.     

A New Set of Limiting Gibbs Measures for the Ising Model on a Cayley Tree

For the Ising model (with interaction constant J>0) on the Cayley tree of order k≥2 it is known that for the temperature T≥T _c,k =J/arctan?(1/k) the limiting Gibbs measure is unique, and for T<T _c,k there are uncountably many extreme Gibbs measures. In the Letter we show that if \(T\in(T_{c,\sqrt{k}}, T_{c,k_{0}})\), with \(\sqrt{k} then there is a new uncountable set \({\mathcal{G}}_{k,k_{0}}\) of Gibbs measures. Moreover \({\mathcal{G}}_{k,k_{0}}\ne {\mathcal{G}}_{k,k'_{0}}\), for k ₀≠k′₀. Therefore if \(T\in (T_{c,\sqrt{k}}, T_{c,\sqrt{k}+1})\), \(T_{c,\sqrt{k}+1} then the set of limiting Gibbs measures of the Ising model contains the set {known Gibbs measures}\(\cup(\bigcup_{k_{0}:\sqrt{k}.     

Anomalous thermopower in heavy-fermion compounds CeB<Subscript>6</Subscript>, CeAl<Subscript>3</Subscript>, and CeCu<Subscript>6 − <Emphasis Type="Italic">x</Emphasis></Subscript>Au<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>

High-precision measurements of thermopower have been performed in a wide temperature range (2–300 K) for a series of cerium-based heavy-fermion compounds, including CeB₆, CeAl₃, CeCu₆, and substitutional solid solutions of the CeCu_{6 ? x} Au _x system (x = 0.1, 0.2). All compounds exhibit an unusual (logarithmic) asymptotic behavior of the temperature dependence of the Seebeck coefficient: S ∝ ?lnT. In the case of cerium hexaboride, this anomalous behavior of S(T) is accompanied by the appearance of weak-carrier-localization-mode asymptotics in the conductivity (σ(T) ∝ T ^0.39), while the paramagnetic susceptibility χ(T) and the effective mass of charge carriers m _eff(T) vary according to a power law (χ(T), m _eff(T) ∝ T ^?0.8) in the temperature interval T = 10–80 K. This behavior corresponds to renormalization of the density of states at the Fermi level. The observed anomalous behavior of thermopower in CeB₆ and other cerium-based intermetallic compounds is attributed to the formation of heavy fermions (many-body states in the metal matrix) at low temperatures.     

Almost mobility edges and the existence of critical regions in one-dimensional quasiperiodic lattices

We study a one-dimensional quasiperiodic system described by the Aubry–André model in the small wave vector limit and demonstrate the existence of almost mobility edges and critical regions in the system. It is well known that the eigenstates of the Aubry–André model are either extended or localized depending on the strength of incommensurate potential V being less or bigger than a critical value V _c , and thus no mobility edge exists. However, it was shown in a recent work that for the system with V < V _c and the wave vector α of the incommensurate potential is small, there exist almost mobility edges at the energy E _c±, which separate the robustly delocalized states from “almost localized” states. We find that, besides E _c±, there exist additionally another energy edges E _c′±, at which abrupt change of inverse participation ratio (IPR) occurs. By using the IPR and carrying out multifractal analyses, we identify the existence of critical regions among |E _c±|?≤?|E|?≤?|E _c′±| with the mobility edges E _c± and E _c′± separating the critical region from the extended and localized regions, respectively. We also study the system with V > V _c , for which all eigenstates are localized states, but can be divided into extended, critical and localized states in their dual space by utilizing the self-duality property of the Aubry–André model.     

A study of the critical properties of the Ising model on body-centered cubic lattice taking into account the interaction of next behind nearest neighbors

The replica Monte Carlo method has been used to investigate the critical behavior of a threedimensional antiferromagnetic Ising model on a body-centered cubic lattice, taking into account interactions of the adjacent behind neighbors. Investigations are carried out for the ratios of the values of exchange interactions behind the nearest and next nearest neighbors k = J ₂/J ₁ in the range of k ∈ [0.0, 1.0] with the step Δk = 0.1. In the framework of the theory of finite-dimensional scaling the static critical indices of heat capacity α, susceptibility γ, of the order parameter β, correlation radius ν, and also the Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is kept in the interval of k ∈ [0.0, 0.6]. It is established that a nonuniversal critical behavior is observed in the range k ∈ [0.8, 1.0].     

Forced snaking: Localized structures in the real Ginzburg-Landau equation with spatially periodic parametric forcing

We study spatial localization in the real subcritical Ginzburg-Landau equation u _t = m ₀ u + Q(x)u + u _xx + d|u|² u ?|u|⁴ u with spatially periodic forcing Q(x). When d>0 and Q ≡ 0 this equation exhibits bistability between the trivial state u = 0 and a homogeneous nontrivial state u = u ₀ with stationary localized structures which accumulate at the Maxwell point m ₀ = ?3d ²/16. When spatial forcing is included its wavelength is imprinted on u ₀ creating conditions favorable to front pinning and hence spatial localization. We use numerical continuation to show that under appropriate conditions such forcing generates a sequence of localized states organized within a snakes-and-ladders structure centered on the Maxwell point, and refer to this phenomenon as forced snaking. We determine the stability properties of these states and show that longer lengthscale forcing leads to stationary trains consisting of a finite number of strongly localized, weakly interacting pulses exhibiting foliated snaking.     

Reconstruction of the 2D hole gas spectrum for selectively doped <Emphasis Type="Italic">p</Emphasis>-Ge/Ge<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>S<Subscript>ix</Subscript> heterostructures

The magnetic field (0≤B≤32 T) and temperature (0.1≤T≤15 K) dependences of longitudinal and Hall resistivities have been investigated for p-Ge_0.93Si_0.07/Ge multilayers with different Ge layer widths 12≤d _w ≤20 nm and hole densities p _s =(1–5)×10¹⁵ m^?2. An extremely high sensitivity of the experimental data (the structure of magnetoresistance traces, relative values of the inter-Landau-level gaps deduced from the activation magnetotransport, etc.) to the quantum well profile is revealed in the cases where the Fermi level reaches the second confinement subband. An unusually high density of localized states between the Landau levels is deduced from the data. Two models for the long-range random impurity potential (the model with randomly distributed charged centers located outside the conducting layer and the model of the system with a spacer) are used to evaluate the impurity potential fluctuation characteristics: the random potential amplitude, the nonlinear screening length in the vicinity of integer filling factors v=1 and v=2, and the background density of states (DOS). The described models are suitable for explanation of the observed DOS values, while the short-range impurity potential models fail. For half-integer filling factors, a linear temperature dependence of the effective quantum Hall effect plateau-plateau (PP) transition widths v₀(T) is observed, contrary to the expected scaling behavior of the systems with short-range disorder. The finite T→0 width of the PP transitions may be due to an effective low-temperature screening of a smooth random potential due to the Coulomb repulsion of electrons.     

Dependence of the maximal superconducting current on the resonance frequency in a shunted Josephson junction

We have analyzed the phase dynamics and current–voltage characteristics of a Josephson junction shunted by an LC circuit. When the Josephson frequency ω _J becomes equal to the natural frequency ω_rc of the formed resonance circuit, the I–V curve acquires additional branches. We have studied the features of the rc branch and the superconducting circuit for different values of the resonance frequency. It is shown that the maximal superconducting current through the Josephson junction on the rc-branch depends on the resonance frequency and is determined by the closeness of the end point of the rc branch to the critical current. We have determined the dependence of the maximal superconducting current on the resonance frequency for different values of the dissipation parameters. The limiting value of the maximal superconducting current is independent (to within 1%) of the parameters of the system.     

Aging effects in the nonequilibrium behavior of multilayer magnetic superstructures

A numerical Monte Carlo study of the nonequilibrium behavior of multilayer magnetic superstructures consisting of alternating magnetic and nonmagnetic nanolayers is performed. The calculated two-time autocorrelation function and the staggered magnetization of the structure at its evolution starting from various initial states are analyzed. The analysis reveals aging effects characterized by a slowing down of the relaxation and correlation characteristics in the system with the waiting time. It is shown that, in contrast to bulk magnetic systems, the aging effects in magnetic superstructures arise not only near the ferromagnetic ordering temperature T _c in the films but also within a wide temperature range at T ≤ T _c.     

Electronic structure of α-Al<Subscript>2</Subscript>O<Subscript>3</Subscript>: Ab initio simulations and comparison with experiment

Al₂O₃ films 150 Å thick are deposited on silicon by the ALD technique, and their x-ray (XPS) and ultraviolet (UPS) photoelectron spectra of the valence band are investigated. The electronic band structure of corundum (α-Al₂O₃) is calculated by the ab initio density functional method and compared with experimental results. The α-Al₂O₃ valence band consists of two subbands separated with an ionic gap. The lower band is mainly formed by oxygen 2s states. The upper band is formed by oxygen 2p states with a contribution of aluminum 3s and 3p states. A strong anisotropy of the effective mass is observed for holes: m _h⊥ ^* ≈ 6.3m ₀ and m _h‖ ^* ≈ 0.36m ₀. The effective electron mass is independent of the direction m _e‖ ^* ≈ m _e⊥ ^* ≈ 0.4m ₀.     

Role of critical fluctuations in the formation of a skyrmion lattice in MnSi

The region in the H–T phase diagram near the critical temperature (T _c ) of the cubic helicoidal MnSi magnet is comprehensively studied by small-angle neutron diffraction. Magnetic field H is applied along the [111] axis. The experimental geometry is chosen to simultaneously observe the following three different magnetic states of the system: (a) critical fluctuations of a spin spiral with randomly orientated wavevector k _f , (b) conical structure with k _c ∥ H, and (c) hexagonal skyrmion lattice with k_sk ⊥ H. Both states (conical structure, and skyrmion lattice) are shown to exist above critical temperature T _c = 29 K against the background of the critical fluctuations of a spin spiral. The conical lattice is present up to the temperatures where fluctuation correlation length ξ becomes comparable with pitch of spiral d _s . The skyrmion lattice is localized near T _c and is related to the fluctuations of a spiral with correlation length ξ ≈ 2d _s , and the propagation vector is normal to the field (k_sk ⊥ H). These spiral fluctuations are assumed to be the defects that stabilize the skyrmion lattice and promote its formation.     

Asymptotic Behavior of a Network of Oscillators Coupled to Thermostats of Finite Energy

We study the asymptotic behavior of a finite network of oscillators (harmonic or anharmonic) coupled to a number of deterministic Lagrangian thermostats of finite energy. In particular, we consider a chain of oscillators interacting with two thermostats situated at the boundary of the chain. Under appropriate assumptions, we prove that the vector (p, q) of moments and coordinates of the oscillators in the network satisfies (p, q)(t) → (0, q _c ) as t → ∞, where q _c is a critical point of some effective potential, so that the oscillators just stop. Moreover, we argue that the energy transport in the system stops as well without reaching thermal equilibrium. This result is in contrast to the situation when the energies of the thermostats are infinite, studied for a similar system in [14] and subsequent works, where the convergence to a nontrivial limiting regime was established.The proof is based on a method developed in [22], where it was observed that the thermostats produce some effective dissipation despite the Lagrangian nature of the system.     

Homogeneous nucleation in liquid nitrogen at negative pressures

The kinetics of spontaneous cavitation in liquid nitrogen at positive and negative pressures has been studied in a tension wave formed by a compression pulse reflected from the liquid–vapor interface on a thin platinum wire heated by a current pulse. The limiting tensile stresses (Δp = p_s–p, where p_s is the saturation pressure), the corresponding bubble nucleation frequencies J (10²⁰–10²² s^–1 m^–3), and temperature induced nucleation frequency growth rate G_T = dlnJ/dT have been experimentally determined. At T = 90 K, the limiting tensile stress was Δp = 8.3 MPa, which was 4.9 MPa lower than the value corresponding to the boundary of thermodynamic stability of the liquid phase (spinodal). The measurement results were compared to classical (homogeneous) nucleation theory (CNT) with and without neglect of the dependence of the surface tension of critical bubbles on their dimensions. In the latter case, the properties of new phase nuclei were described in terms of the Van der Waals theory of capillarity. The experimental data agree well with the CNT theory when it takes into account the “size effect.”     

On the effect of heating and cooling rates on the melting and crystallization of metal nanoclusters

The effect of heating and cooling rates on melting (T_m) and crystallization (T_c) temperatures of metal nanoclusters is investigated in terms of the isothermal molecular dynamics. We report on the results obtained for nickel nanoclusters, although analogous results were also obtained for gold and aluminum nanoclusters. It is found that T_m increases, while T_c decreases with increasing heating and cooling rates, both T_m and T_c tending to the same value for heating and cooling rates tending to zero. The results indicate that the hysteresis of melting and crystallization of nanoparticles must be completely due to nonequilibrium conditions of heating and cooling. The transition of Ni nanoclusters to the amorphous state begins at very high cooling rates exceeding 10 TK/s.     

Energy spectrum of holes in Sb<Subscript>2</Subscript>Te<Subscript>2.9</Subscript>Se<Subscript>0.1</Subscript> solid solution according to the data on the transfer phenomena

The temperature dependence of the Hall coefficient of a single crystal of the p-Sb₂Te_2.9Se_0.1 solid solution grown by the Czochralski technique is studied in the temperature range 77–450 K. The data on the Hall coefficient of the p-Sb₂Te_2.9Se_0.1 are analyzed in combination with the data on the Seebeck and Nernst–Ettingshausen effects and the electrical conductivity with allowance for interband scattering. From an analysis of the temperature dependences of the four kinetic coefficients, it follows that, at T < 200 K, the experimental data are qualitatively and quantitatively described in terms of the one-band model. At higher temperatures, a complex structure of the valence band and the participation of the second-kind additional carriers (heavy holes) in the kinetic phenomena should be taken into account. It is shown that the calculations of the temperature dependences of the Seebeck and Hall coefficients performed in the two-band model agree with the experimental data with inclusion of the interband scattering when using the following parameters: effective masses of the density of states of light holes m_d1^*≈ 0.5m₀ (m₀ is the free electron mass) and heavy holes m_d2^*≈ 1.4m₀, the energy gap between the main and the additional extremes of the valence band ΔE_v ≈ 0.14 eV that is weakly dependent on temperature.     

Multicomponent <Emphasis Type="Italic">n</Emphasis>-(Bi,Sb)<Subscript>2</Subscript>(Te,Se,S)<Subscript>3</Subscript> solid solutions with different atomic substitutions in the Bi and Te sublattices

The thermoelectric properties of n-Bi_{2 ? x} Sb _x Te_{3 ? y ? z} Se _y S _z solid solutions are studied in the temperature range 300–550 K. It is shown that an increase in the parameter β determining the figure-of-merit Z of the material is observed in compositions with the optimally related effective mass of the density of states m/m ₀, the carrier mobility μ₀, and the lattice thermal conductivity κ _L . Within the temperature range 300–350 K, the parameter β and the figure-of-merit Z are found to increase in solid solutions with substitutions in both bismuth telluride sublattices Bi → Sb and Te → Se, S (x = 0.16, y = z = 0.12) for optimum electron concentrations. An increase in the electron concentration and substitutions of atoms only in the tellurium sublattice bring about an increase in the β parameter and the value of Z at higher temperatures. Within the range 350–450 K, the parameters β and Z are observed to increase in a solid solution with a low content of substituted atoms in the tellurium sublattice Te → Se, S for y = z = 0.09 and, at higher temperatures up to 550 K, in compositions with tellurium substituted by selenium only, with increasing content of substituted atoms.