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J. A. Plascak

Publications and source records attributed to J. A. Plascak.

At least 19 recordsLinked to original sources

Universal energy and magnetisation distributions in the Blume-Capel and Baxter-Wu models

We analyse the probability distribution functions of the energy and magnetisation of the two-dimensional Blume-Capel and Baxter-Wu models with spin values $S \in \{1/2,1, 3/2\}$ in the presence of a crystal field $Δ$. By employing extensive single-spin flip Monte Carlo simulations and a recently developed method of studying the zeros of the energy probability distribution we are able to probe, with a good numerical accuracy, several critical characteristics of the transitions. Additionally, the universal aspects of these transitions are scrutinised by computing the corresponding probability distribution functions. The energy distribution has been underutilised in the literature when compared to that of the magnetisation. Somewhat surprisingly, however, the former appears to be more robust in characterising the universality class for both models upon varying the crystal field $Δ$ than the latter. Finally, our analysis suggests that in contrast to the Blume-Capel ferromagnet, the Baxter-Wu model appears to suffer from strong finite-size effects, especially upon increasing $Δ$ and $S$, that obscure the application of traditional finite-size scaling approaches.

cond-mat.stat-mech↗

Two-dimensional dilute Baxter-Wu model: Transition order and universality

We investigate the critical behavior of the two-dimensional spin-$1$ Baxter-Wu model in the presence of a crystal-field coupling $Δ$ with the goal of determining the universality class of transitions along the second-order part of the transition line as one approaches the putative location of the multicritical point. We employ extensive Monte Carlo simulations using two different methodologies: (i) a study of the zeros of the energy probability distribution, closely related to the Fisher zeros of the partition function, and (ii) the well-established multicanonical approach employed to study the probability distribution of the crystal-field energy. A detailed finite-size scaling analysis in the regime of second-order phase transitions in the $(Δ, T)$ phase diagram supports previous claims that the transition belongs to the universality class of the $4$-state Potts model. For positive values of $Δ$, we observe the presence of strong finite-size effects, indicative of crossover effects due to the proximity of the first-order part of the transition line. Finally, we demonstrate how a combination of cluster and heat-bath updates allows one to equilibrate larger systems, and we demonstrate the potential of this approach for resolving the ambiguities observed in the regime of $Δ\gtrsim 0$.

cond-mat.stat-mech↗

Study of the ground state and thermodynamic properties of Cu5-NIPA-like molecular nanomagnets

The thermodynamic properties of a spatially anisotropic spin-1/2 Heisenberg model for a Cu$_5$ pentameric molecule is studied through exact diagonalization. The elementary geometry of the finite lattice is defined on nanomolecules consisting of an hourglass structure of two corner-sharing scalene triangles which are related by inversion symmetry. This microscopic magnetic model is quite suitable to describe the molecular nanomagnetic compound Cu5-NIPA. The ground-state phase diagram, as well as the corresponding total magnetization, are obtained as a function of the anisotropic exchange interactions and the external magnetic field. The thermodynamic behavior of the model at finite temperatures is also studied and the corresponding magnetocaloric effects are analyzed for various values of the Hamiltonian parameters.

cond-mat.str-el↗

Coexistence of spontaneous dimerization and magnetic order in a transverse-field Ising ladder with four-spin interactions

The spin-1/2 transverse field two-leg Ising ladder with nearest-neighbor exchange and plaquette four-spin interaction $J_{4}$ is studied analytically and numerically with the density matrix renormalization group approach. The quantum phase diagram in the transverse field $B$ versus $J_{4}$ plane has been obtained. There are three different phases: a paramagnetic (PM) phase for high values of the transverse field and, for low values of $B$, a ferromagnetic (FM) ordered phase for small $J_{4}$ and a dimerized-rung (DR) phase for large negative values of $J_{4}$. All phases are separated by quantum phase transition lines meeting at a multicritical point. The critical lines have been obtained by exploring the entanglement entropy. The results show that along the critical lines the central charge is $c=1/2$, while at the multicritical point one has $c=1$. The scaling dimension of the energy operator is $X_ε=1$, in agreement with the universality class of the critical behavior of the quantum Ising chain. An effective field theory for the multicritical point is also discussed. The FM and the DR order parameters have also been computed and we found a region where the FM and the DR phases coexist.

cond-mat.str-el↗

Ground state and thermodynamic properties of spin-1/2 isosceles Heisenberg triangles for V$_6$-like magnetic molecules

The spin-1/2 Hamiltonian for two coupled isosceles Heisenberg triangles, which is well suited for describing the V$_6$-type magnetic molecules, is studied by exact diagonalization. The quantum phase transition diagram, at zero temperature, is obtained as a function of the theoretical parameters. The zero temperature magnetization is also obtained as a function of the external magnetic field. The thermodynamic behavior of the magnetization, entropy, susceptibility, and specific heat, as a function of temperature, are also computed and the corresponding magnetocaloric effect analyzed for various values of the Hamiltonian parameters.

cond-mat.stat-mech↗

Phase diagram for the spin-3/2 quantum ferromagnetic Blume-Capel model in a transverse crystal field: an approximation at the mean-field level

We investigate the phase diagram for the spin-$3/2$ ferromagnetic Blume-Capel model in a transverse crystal field using the standard mean-field approximation within the framework of Bogoliubov inequality for free energy. We draw a very rich phase diagram with first- and second-order transition lines; tricritical and tetracritical points; critical endpoint of order 2 and double critical endpoint. Additionally, the behaviour of magnetisation as a function of temperature over a wide range of values of both longitudinal and transverse crystal fields is also analysed. To the best of our knowledge, this quantum spin model has only been studied employing an effective field theory, which in turn was not able to characterise completely the multicritical phenomena in its phase diagram, because that procedure is not based on free energy. Thus, our findings on the phase diagram for the present model are novel as they have been not previously reported.

cond-mat.stat-mech↗

Adsorption of flexible polymer chains on a surface: Effects of different solvent conditions

Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for different solvent conditions. We have used an advanced contact-density chain-growth algorithm, in which the density of contacts can be directly obtained. From this quantity, the order parameter and its fourth-order Binder cumulant are computed, as well as the corresponding critical exponents and the adsorption-desorption transition temperature. As the number of configurations with a given number of surface contacts and monomer-monomer contacts is independent of the temperature and solvent conditions, it can be easily applied to get results for different solvent parameter values without the need of any extra simulations. In analogy to continuous magnetic phase transitions, finite-size-scaling methods have been employed. Quite good results for the critical properties and phase diagram of very long single polymer chains have been obtained by properly taking into account the effects of corrections to scaling. The study covers all solvent effects, going from the limit of {\it super-self-avoiding walks}, characterized by effective monomer-monomer repulsion, to poor solvent conditions that enable the formation of compact polymer structures.

cond-mat.stat-mech↗

Spin-1/2 anisotropic Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interaction via mean-field approximation

The spin-1/2 anisotropic Heisenberg model with antiferromagnetic exchange interactions in the presence of a external magnetic field and a Dzyaloshinskii-Moriya interaction is studied by employing the usual mean-field approximation. The magnetic properties are obtained and it is shown that only second-order phase transitions take place for any values of the theoretical Hamiltonian parameters. Contrary to previous results from effective field theory, no anomalies have been observed at low temperatures. However, some re-entrancies still persist in some region of the phase diagram.

cond-mat.stat-mech↗

Solvent-Dependent Critical Properties of Polymer Adsorption

Advanced chain-growth computer simulation methodologies have been employed for a systematic statistical analysis of the critical behavior of a polymer adsorbing at a substrate. We use finitesize scaling techniques to investigate the solvent-quality dependence of critical exponents, critical temperature, and the structure of the phase diagram. Our study covers all solvent effects from the limit of super-self-avoiding walks, characterized by effective monomer-monomer repulsion, to poor solvent conditions that enable the formation of compact polymer structures. The results significantly benefit from taking into account corrections to scaling.

cond-mat.soft↗

Multicritical behavior of the two-dimensional transverse Ising metamagnet in a longitudinal magnetic field

Magnetic phenomena of the superantiferromagnetic Ising model in both uniform longitudinal ($H$) and transverse ($Ω$) magnetic fields are studied by employing a mean-field variational approach based on Peierls-Bogoliubov inequality for the free energy. A single-spin cluster is used to get the approximate thermodynamic properties of the model. The phase diagrams in the magnetic fields and temperature ($T$) planes, namely, $H-T$ and $Ω-T$, are analyzed on an anisotropic square lattice for some values of the ratio $α=J_{y}/J_{x}$, where $J_x$ and $J_y$ are the exchange interactions along the $x$ and $y$ directions, respectively. Depending on the range of the Hamiltonian parameters, one has only second-order transition lines, only first-order transition lines, or first- and second-order transition lines with the presence of tricritical points. The corresponding phase diagrams show no reentrant behavior along the first-order transition lines at low temperatures. These results are different from those obtained by using Effective Field Theory with the same cluster size.

cond-mat.stat-mech↗

Monte Carlo Simulations of the site-diluted 3d XY model with superexchange interaction: application to Fe[Se$_2$CN(C$_2$H$_5$)$_2$]$_2$Cl -- Zn[S$_2$CN(C$_2$H$_5$)$_2$]$_2$ diluted magnets

A simple site-diluted classical XY model is proposed to study the magnetic properties of the ferromagnetic polycrystalline Fe[Se$_2$CN(C$_2$H$_5$)$_2$]$_2$Cl diluted with diamagnetic Zn[S$_2$CN(C$_2$H$_5$)$_2$]$_2$. An extra superexchange interaction is assumed between next-nearest-neighbors on a simple cubic lattice, which are induced by a diluted ion. The critical properties are obtained by Monte Carlo simulations using a hybrid algorithm, single histograms procedures and finite-size scaling techniques. Quite good fits to the experimental results of the ordering temperature are obtained, namely its much less rapidly decreasing with dilution than predicted by the standard diluted 3$d$ XY model, and the change in curvature around $86\%$ of the magnetic Fe[Se$_2$CN(C$_2$H$_5$)$_2$]$_2$Cl compound.

cond-mat.dis-nn↗

Magnetic models on various topologies

A brief review is given on the study of the thermodynamic properties of spin models defined on different topologies like small-world, scale-free networks, random graphs and regular and random lattices. Ising, Potts and Blume-Capel models are considered. They are defined on complex lattices comprising Appolonian, Barabási-Albert, Voronoi-Delauny and small-world networks. The main emphasis is given on the corresponding phase transitions, transition temperatures, critical exponents and universality, compared to those obtained by the same models on regular Bravais lattices.

cond-mat.dis-nn↗

Probability Distribution Function of the Order Parameter: Mixing Fields and Universality

We briefly review the use of the order parameter probability distribution function as a useful tool to obtain the critical properties of statistical mechanical models using computer Monte Carlo simulations. Some simple discrete spin magnetic systems on a lattice, such as Ising, general spin-$S$ Blume-Capel and Baxter-Wu, $Q$-state Potts, among other models, will be considered as examples. The importance and the necessity of the role of mixing fields in asymmetric magnetic models will be discussed in more detail, as well as the corresponding distributions of the extensive conjugate variables.

cond-mat.stat-mech↗

Blume-Capel model on directed and undirected Small-World Voronoi-Delaunay random lattices

The critical properties of the spin-1 two-dimensional Blume-Capel model on directed and undi- rected random lattices with quenched connectivity disorder is studied through Monte Carlo simulations. The critical temperature, as well as the critical point exponents are obtained. For the undi- rected case this random system belongs to the same universality class as the regular two-dimensional model. However, for the directed random lattice one has a second-order phase transition for q < qc and a first-order phase transition for q > qc, where qc is the critical rewiring probability. The critical exponents for q < qc was calculated and they do not belong to the same universality class as the regular two-dimensional ferromagnetic model.

cond-mat.stat-mech↗

Free energy variational approach for the classical anisotropic XY model in a crystal field

A variational approach for the free energy is used to study the three-dimensional anisotropic XY model in the presence of a crystal field. The magnetization and the phase diagrams as a function of the parameters of the Hamiltonian are obtained. Some limiting results for isotropic XY and planar rotator models in two and three dimensions are analyzed and compared to previous results obtained from analytical approximations as well as from those obtained from more reliable approaches such as series expansion and Monte Carlo simulations. It is also shown that from this general variational approach some simple assumptions can drastically simplify the self-consistent implicit equations. The validity of the low temperature region of this approach is analyzed and compared to Monte Carlo results as well.

cond-mat.stat-mech↗

Critical behavior of the spin-3/2 Blume-Capel model on a random two-dimensional lattice

We investigate the critical properties of the spin-3/2 Blume-Capel model in two dimensions on a random lattice with quenched connectivity disorder. The disordered system is simulated by applying the cluster hybrid Monte Carlo update algorithm and re-weighting techniques. We calculate the critical temperature as well as the critical point exponents $γ/ν$, $β/ν$, $α/ν$, and $ν$. We find that, contrary of what happens to the spin-1/2 case, this random system does not belong to the same universality class as the regular two-dimensional ferromagnetic model.

cond-mat.stat-mech↗

Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals

A percolation model is proposed to explain the structural phase transitions found in Li$_{1-x}$H$_x$IO$_3$ mixed crystals as a function of the concentration parameter $x$. The percolation thresholds are obtained from Monte Carlo simulations on the specific lattices occupied by lithium atoms and hydrogen bonds. The theoretical results strongly suggest that percolating lithium vacancies and hydrogen bonds are indeed responsible for the solid solution observed in the experimental range $0.22 < x < 0.36$.

cond-mat.stat-mech↗

Probability distribution of the order parameter

The probability distribution of the order parameter is exploited in order to obtain the criticality of magnetic systems. Monte Carlo simulations have been employed by using single spin flip Metropolis algorithm aided by finite-size scaling and histogram reweighting techniques. A method is proposed to obtain this probability distribution even when the transition temperature of the model is unknown. A test is performed on the two-dimensional spin-1/2 and spin-1 Ising model and the results show that the present procedure can be quite efficient and accurate to describe the criticality of the system.

cond-mat.stat-mech↗