Related papers: Crossover between displacive and order-disorder ph…
We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…
We have studied the phase transition of the contact process near a multiple junction of $M$ semi-infinite chains by Monte Carlo simulations. As opposed to the continuous transitions of the translationally invariant ($M=2$) and semi-infinite…
The dynamical response of an Ising ferromagnet to a plane polarised standing magnetic field wave is modelled and studied here by Monte Carlo simulation in two dimensions. The amplitude of standing magnetic wave is modulated along the…
Combined effects of interactions and disorder are investigated using a finite temperature quantum Monte Carlo technique for the three-dimensional Hubbard model with random potentials of a finite range. Temperature dependence of the charge…
We study the evolution of angular variable (phase) for general (not necessarily Hamiltonian) perturbations of Hamiltonian systems with one degree of freedom near separatrices of the unperturbed system. To this end, we use averaged system of…
We theoretically describe the charge ordering (CO) metal-insulator transition based on a quasi-one-dimensional extended Hubbard model, and investigate the finite temperature ($T$) properties across the transition temperature, $T_{\rm CO}$.…
A study is made of an anisotropic Potts model in three dimensions where the coupling depends on both the Potts state on each site but also the direction of the bond between them using both analytical and numerical methods. The phase diagram…
We investigate the Jahn-Teller structural phase transition in LaMnO$_3$ at $T_{JT} \simeq 750$ K using molecular dynamics simulations based on machine-learning force fields trained on ab initio data. Analysis of the site-site correlation…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
We investigate phase transitions in the two-dimensional dipolar Heisenberg model with uniaxial anisotropy with a specific ratio between the exchange and dipolar constants, $\delta=1$. We obtain the $\eta$--$T$ (anisotropy vs. temperature)…
Phase diagram of solid solutions of antiferroelectric and ferroelectric materials like PbZr$_{1-x}$Ti$_x$O$_3$ (PZT), Rb$_x$(NH$_4$)$_{1-x}$H$_2$PO$% _4$ (RADP) is calculated at the region $x\leq 0.1$. Antiferroelectric and ferroelectric…
The new perturbation theory for the problem of nonstationary anharmonic oscillator with polynomial nonstationary perturbation is proposed. As a zero order approximation the exact wave function of harmonic oscillator with variable frequency…
The dynamic phase transition has been studied in the two dimensional kinetic Ising model in presence of a time varying (sinusoidal) magnetic field by Monte Carlo simulation. The nature (continuous or discontinuous) of the transition is…
In this work we have used extensive Monte Carlo simulations and finite size scaling theory to study the phase transition in the dipolar Planar Rotator model (dPRM), also known as dipolar XY model. The true long-range character of the…
The temperature phase transition in the $N$-component scalar field theory with spontaneous symmetry breaking is investigated using the method combining the second Legendre transform and with the consideration of gap equations in the extrema…
We study the two-dimensional XY model with quenched random phases by Monte Carlo simulation and finite-size scaling analysis. We determine the phase diagram of the model and study its critical behavior as a function of disorder and…
We study the finite temperature properties of the extended Bose-Hubbard model on a cubic lattice. This model exhibits the so-called supersolid state. To start with, we investigate ordering processes by quantum Monte Carlo simulations, and…
We present a new method for investigating first-order phase transitions using Monte Carlo simulations. It relies on the multiple-histogram method and uses solely histograms of individual phases. In addition, we extend the method to include…
A 1D model of interacting particles moving over a periodic substrate and in a position dependent temperature profile is considered. When the substrate and the temperature profile are spatially asymmetric a center-of-mass velocity develops,…
We determine the viability of 4-layered Aurivillius phases to exhibit long-range magnetic order above room temperature. We use Monte Carlo simulations to calculate transition temperatures for an effective Heisenberg model containing a…