Extended gaussian ensemble solution and tricritical points of a system with long-range interactions

The gaussian ensemble and its extended version theoretically play the important role of interpolating ensembles between the microcanonical and the canonical ensembles. Here, the thermodynamic properties yielded by the extended gaussian ensemble (EGE) for the Blume-Capel (BC) model with infinite-range interactions are analyzed. This model presents different predictions for the first-order phase transition line according to the microcanonical and canonical ensembles. From the EGE approach, we explicitly work out the analytical microcanonical solution. Moreover, the general EGE solution allows one to illustrate in details how the stable microcanonical states are continuously recovered as the gaussian parameter γ is increased. We found out that it is not necessary to take the theoretically expected limit γ → ∞ to recover the microcanonical states in the region between the canonical and microcanonical tricritical points of the phase diagram. By analyzing the entropy as a function of the magnetization we realize the existence of unaccessible magnetic states as the energy is lowered, leading to a breaking of ergodicity.     

Inhomogeneous Tsallis distributions in the HMF model

We study the maximization of the Tsallis functional at fixed mass and energy in the Hamiltonian Mean Field (HMF) model. We give a thermodynamical and a dynamical interpretation of this variational principle. This leads to q-distributions known as stellar polytropes in astrophysics. We study phase transitions between spatially homogeneous and spatially inhomogeneous equilibrium states. We show that there exists a particular index q _c = 3 playing the role of a canonical tricritical point separating first and second order phase transitions in the canonical ensemble and marking the occurence of a negative specific heat region in the microcanonical ensemble. We apply our results to the situation considered by Antoni and Ruffo [Phys. Rev. E 52, 2361 (1995)] and show that the anomaly displayed on their caloric curve can be explained naturally by assuming that, in this region, the QSSs are polytropes with critical index q _c = 3. We qualitatively justify the occurrence of polytropic (Tsallis) distributions with compact support in terms of incomplete relaxation and inefficient mixing (non-ergodicity). Our paper provides an exhaustive study of polytropic distributions in the HMF model and the first plausible explanation of the surprising result observed numerically by Antoni and Ruffo (1995). In the course of our analysis, we also report an interesting situation where the caloric curve presents both microcanonical first and second order phase transitions.     

Microcanonical Analysis of Exactness of the Mean-Field Theory in Long-Range Interacting Systems

Classical spin systems with nonadditive long-range interactions are studied in the microcanonical ensemble. It is expected that the entropy of such a system is identical to that of the corresponding mean-field model, which is called “exactness of the mean-field theory”. It is found out that this expectation is not necessarily true if the microcanonical ensemble is not equivalent to the canonical ensemble in the mean-field model. Moreover, necessary and sufficient conditions for exactness of the mean-field theory are obtained. These conditions are investigated for two concrete models, the α-Potts model with annealed vacancies and the α-Potts model with invisible states.     

Schlieren imaging of nano-scale atom-surface inelastic transition using a Fresnel biprism atom interferometer

Surface-induced exo-energetic inelastic transitions among atomic Zeeman states in a magnetic field (“van der Waals – Zeeman” transitions) are useable as tuneable beam splitters. A transversally coherent atom beam impinging a pair of opposite surfaces (e.g. 2 edges of a slit or of an ensemble of periodic slits) gives rise to two coherently diffracted wave packets. Within the wave packet overlap, non-localised interference fringes of the Young-slit type are predicted. From the diffraction pattern observed in the Fraunhofer regime (Schlieren image), detailed information about the transition amplitude on a scale of a few nanometers should be derived.     

Negative heat capacity of Ar55 cluster

The solid–liquid phase transitions of Ar₅₅ cluster was simulated by the microcanonical molecular dynamics and microcanonical parallel tempering methods using Lennard–Jones potential, and thermodynamic quantities were calculated. The caloric curve of cluster has S-bend. To understand this behaviour, configurational and total entropies were evaluated, and the dents on the entropy curves were noticed as the sign of negative heat capacity. The heat capacities were evaluated by using configurational entropy data. The potential energy distributions have bimodal behaviour in the given range at the melting temperature. At the same time by using configurational entropy canonical caloric curve and canonical heat capacity were calculated. To obtain entropy change upon melting, total entropy were calculated from the caloric curve. The microcanonical results melting temperature, latent heat and entropy change upon melting values were reported and compared with the values reported in the literature and the values calculated from the thermodynamic relations offered for bulk matter, consistent values were found.     

Microcanonical Phase Diagram of the BEG and Ising Models

The density of states of long-range Blume-Emery-Griffiths (BEG) and short-range Ising models are obtained by using Wang-Landau sampling with adaptive windows in energy and magnetization space. With accurate density of states, we are able to calculate the microcanonical specific heat of fixed magnetization introduced by Kastner et al. in the regions of positive and negative temperature. The microcanonical phase diagram of the Ising model shows a continuous phase transition at a negative temperature in energy and magnetization plane. However the phase diagram of the long-range model constructed by peaks of the microcanonical specific heat looks obviously different from the Ising chart.     

Microcanonical Phase Diagram of the BEG and Ising Models

The density of states of long-range Blume-Emery-Griffiths(BEG) and short-range Ising models are obtained by using Wang-Landau sampling with adaptive windows in energy and magnetization space.With accurate density of states,we are able to calculate the microcanonical specific heat of fixed magnetization introduced by Kastner et al.in the regions of positive and negative temperature.The microcanonical phase diagram of the Ising model shows a continuous phase transition at a negative temperature in energy and magnetization plane.However the phase diagram of the long-range model constructed by peaks of the microcanonical specific heat looks obviously different from the Ising chart.     

Magnetic phase diagram of the dimerized spin S = 1/2 ladder

The ground-state magnetic phase diagram of a spin S=1/2 two-leg ladder with alternating rung exchange J_⊥(n)=J_⊥[1 + (-1)ⁿ δ] is studied using the analytical and numerical approaches. In the limit where the rung exchange is dominant, we have mapped the model onto the effective quantum sine-Gordon model with topological term and identified two quantum phase transitions at magnetization equal to the half of saturation value from a gapped to the gapless regime. These quantum transitions belong to the universality class of the commensurate-incommensurate phase transition. We have also shown that the magnetization curve of the system exhibits a plateau at magnetization equal to the half of the saturation value. We also present a detailed numerical analysis of the low energy excitation spectrum and the ground state magnetic phase diagram of the ladder with rung-exchange alternation using Lanczos method of numerical diagonalizations for ladders with number of sites up to N = 28. We have calculated numerically the magnetic field dependence of the low-energy excitation spectrum, magnetization and the on-rung spin-spin correlation function. We have also calculated the width of the magnetization plateau and show that it scales as δ^ν, where critical exponent varies from ν = 0.87±0.01 in the case of a ladder with isotropic antiferromagnetic legs to ν = 1.82±0.01 in the case of ladder with ferromagnetic legs. Obtained numerical results are in an complete agreement with estimations made within the continuum-limit approach.     

0-π oscillations in nanostructured Nb/Fe/Nb Josephson junctions

The physics of the π phase shift in ferromagnetic Josephson junctions may enable a range of applications for spin-electronic devices and quantum computing. We investigate transitions from “0” to “π” states in Nb/Fe/Nb Josephson junctions by varying the Fe barrier thickness from 0.5 nm to 5.5 nm. From magnetic measurements we estimate for Fe a magnetic dead layer of about 1.1 nm. By fitting the characteristic voltage oscillations with existing theoretical models we extrapolate an exchange energy of 256 meV, a Fermi velocity of 1.98 ×10⁵ m/s and an electron mean free path of 6.2 nm, in agreement with other reported values. From the temperature dependence of the I_CR_N product we show that its decay rate exhibits a nonmonotonic oscillatory behavior with the Fe barrier thickness.     

Gravitational phase transitions with an exclusion constraint in position space

We discuss the statistical mechanics of a system of self-gravitating particles with anexclusion constraint in position space in a space of dimension d. Theexclusion constraint puts an upper bound on the density of the system and can stabilize itagainst gravitational collapse. We plot the caloric curves giving the temperature as afunction of the energy and investigate the nature of phase transitions as a function ofthe size of the system and of the dimension of space in both microcanonical and canonicalensembles. We consider stable and metastable states and emphasize the importance of thelatter for systems with long-range interactions. For d ≤ 2, there is nophase transition. For d > 2, phase transitions can take place betweena “gaseous” phase unaffected by the exclusion constraint and a “condensed” phase dominatedby this constraint. The condensed configurations have a core-halo structure made of a“rocky core” surrounded by an “atmosphere”, similar to a giant gaseous planet. For largesystems there exist microcanonical and canonical first order phase transitions. Forintermediate systems, only canonical first order phase transitions are present. For smallsystems there is no phase transition at all. As a result, the phase diagram exhibits twocritical points, one in each ensemble. There also exist a region of negative specificheats and a situation of ensemble inequivalence for sufficiently large systems. We showthat a statistical equilibrium state exists for any values of energy and temperature inany dimension of space. This differs from the case of the self-gravitating Fermi gas forwhich there is no statistical equilibrium state at low energies and low temperatures whend ≥ 4. By a proper interpretation of the parameters, our results haveapplication for the chemotaxis of bacterial populations in biology described by ageneralized Keller-Segel model including an exclusion constraint in position space. Theyalso describe colloids at a fluid interface driven by attractive capillary interactionswhen there is an excluded volume around the particles. Connexions with two-dimensionalturbulence are also mentioned.     

On the effect of an elastic shear stress upon the magnetization of ferromagnetic sheets

When an elastic shear stress and a cyclical magnetic field, parallel to each other, are applied in the plane of a ferromagnetic sheet, magnetization changes perpendicular to the field are induced in the sample. “Transverse” hysteresis loops, i.e. transverse magnetization plotted as a function of the longitudinal field, were studied in various materials. The characteristic shape of the loop and the differences in sign and magnitude of the “transverse” magnetization have been qualitatively explained in terms of magnetic domain theory. Work supported by G.N.S.M. (CNR).     

Phase diagram of a thin film of the Fe<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>Co<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> alloy with the “bulk” or “planar” magnetoelastic interaction

Concentration-induced reorientation phase transitions in thin magnetic films of FeCo alloys have been investigated taking into account “planar” or “bulk” magnetoelastic interaction. The critical concentrations of Co corresponding to the phase transition points, as well as the types of the phase transitions, have been determined. The phase diagrams have been plotted.     

Cluster evaporation transition in finite system

Using Wang-Landau entropic sampling we study the Ising model in the framework of microcanonical ensemble (fixed magnetization). We are working for lattice size up to 1500×1500 in two dimensions and 100×100×100 in three dimensions. As we approach the coexistence curve from inside, varying temperature and keeping the magnetization constant, a first-order phase transition takes place for a temperature near the coexistence curve if the lattice size is large enough. We analyze various features of this transition as well as the scaling behavior of characteristic quantities and we compare our numerical results with existing theories.     

Classification of Phase Transitions and Ensemble Inequivalence, in Systems with Long Range Interactions

Systems with long range interactions in general are not additive, which can lead to an inequivalence of the microcanonical and canonical ensembles. The microcanonical ensemble may show richer behavior than the canonical one, including negative specific heats and other non-common behaviors. We propose a classification of microcanonical phase transitions, of their link to canonical ones, and of the possible situations of ensemble inequivalence. We discuss previously observed phase transitions and inequivalence in self-gravitating, two-dimensional fluid dynamics and non-neutral plasmas. We note a number of generic situations that have not yet been observed in such systems.     

Application of large deviation theory to the mean-field $\boldsymbol{\varphi}^\mathsf{4}$-model

A large deviation technique is used to calculate the microcanonical entropy function s(v,m) of the mean-field ϕ⁴-model as a function of the potential energy v and the magnetization m. As in the canonical ensemble, a continuous phase transition is found. An analytical expression is obtained for the critical energy v_c(J) as a function of the coupling parameter J.     

Nonequilibrium phase transitions in ferromagnetic semiconductors (EuO<Subscript>1–δ</Subscript>)

The features of metal‒semiconductor kinetic phase transformation in ferromagnetic semiconductors are studied. It is shown that heat release caused by current results in a positive feedback between the current density and the sample temperature, magnetization, and thermal-spin fluctuation amplitude. The Joule heating of the sample leads to disappearance of magnetization and, as a result, to restoration of the forbidden band between the conduction and valence bands. However, the energy gap width continues to change due to an increase in the fluctuations of internal exchange fields splitting the electron states. Within the framework of the developed model, an S-shaped volt-ampere characteristic is obtained for a EuO_1–δ, ferromagnetic semiconductor. The lower branch of the characteristic corresponds to a ferromagnetic metal state (a “cold” phase) and the upper one is due to a semiconductor paramagnetic state (a “hot” phase).     

Microcanonical determination of the interface tension of flat and curved interfaces from Monte Carlo simulations

The investigation of phase coexistence in systems with multi-component order parameters in finite systems is discussed and, as a generic example, Monte Carlo simulations of the two-dimensional q-state Potts model (q?=?30) on L?×?L square lattices (40?≤?L?≤?100) are presented. It is shown that the microcanonical ensemble is well suited both to find the precise location of the first-order phase transition and to obtain an accurate estimate for the interfacial free energy between coexisting ordered and disordered phases. For this purpose, a microcanonical version of the heat bath algorithm is implemented. The finite size behaviour of the loop in the curve describing the inverse temperature versus energy density is discussed, emphasizing that the extrema do not have the meaning of van der Waals-like 'spinodal points' separating metastable from unstable states, but rather describe the onset of heterophase states: droplet/bubble evaporation/condensation transitions. Thus all parts of these loops, including the parts that correspond to a negative specific heat, describe phase coexistence in full thermal equilibrium. However, the estimates for the curvature-dependent interface tension of the droplets and bubbles suffer from unexpected and unexplained large finite size effects which need further study.     

Effect of the electric field on “incommensurate-commensurate” magnetic phase transitions in BiFeO3-type multiferroics

The specific features of the “incommensurate-commensurate” phase transitions induced by a magnetic field in multiferroics (materials with coexisting magnetic and electric ordering) are considered. These materials are ferroelectromagnets, for example, bismuth ferrite BiFeO₃ and BiFeO₃-based compounds, which have spatially modulated spin structures. It is shown that the interaction between the electric and magnetic subsystems of the multiferroic material can lead to an electric-field-induced shift of the critical magnetic field corresponding to the transition from a spatially modulated state to a homogeneous antiferromagnetic state. According to the theoretical estimates obtained for material parameters characteristic of the bismuth ferrite, this shift is of the order of 0.5 T in an electric field of 50 kV/cm. The phase diagrams are constructed in the “electric field-magnetic field” coordinates. The results of calculations performed in the harmonic incommensurate structure approximation are compared with the exact soliton solution.     

Interplay between chains of S = 5/2 localised spins and two-dimensional sheets of organic donors in the synthetically built magnetic multilayer λ ‒ (BETS)2FeCl4

In order to understand the magnetic field-induced restoration of a highly conductive state in , static (SQUID) and dynamic (ESR and AFR) magnetization measurements were performed on polycrystalline samples and single crystals, respectively. In addition, cantilever and resistivity measurements under steady fields were performed. While the metal-insulator transition curve of the () phase diagram exhibits a first order character, a “spin-flop” transition line divides the insulating state when the magnetic field is applied along the easy axis of magnetization. The effects of a RKKY-type indirect exchange and of applied magnetic field are described within the framework of a generalized Kondo lattice, namely two chains of localised spins coupled through the itinerant spins of the 2D sheets of BETS. The calculations, which can incorporate intramolecular electron correlations within a mean field theory, are in qualitative agreement with the field induced transition from the antiferromagnetic insulating ground state to a canted one, i.e. a not fully oriented paramagnetic, but metallic state. Received: 6 August 1997 / Received: 5 November 1997 / Accepted: 10 November 1997     

Weak disorder in a two-dimensional dipole magnet

The effect of “random-field” disorder and “random-anisotropy-axis” disorder on a two-dimensional dipole ferromagnet is investigated. It is shown that disorder results in instability of the ferromagnetic phase. The correlation function of the magnetization is calculated with the aid of a self-consistent harmonic approximation. It is found that in the presence of a random field the correlation function is a power-law function of the distance. In the presence of random anisotropy the correlation function decreases logarithmically slowly as a function of distance. Pis’ma Zh. éksp. Teor. Fiz. 65, No. 1, 108–112 (10 January 1997)