Related papers: Magnetic phase transition in coupled spin-lattice …
Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…
We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we…
We study in this paper the phase transition in superlattices formed by alternate magnetic and ferroelectric layers, by the use of Monte Carlo simulation. We study effects of temperature, external magnetic and electric fields,…
Monte-Carlo simulations and ground-state calculations have been used to map out the phase diagram of a system of classical spins, on a simple cubic lattice, where nearest-neighbor pairs of spins are coupled via competing antiferromagnetic…
We describe the study of thermodynamics of materials using replica-exchange Wang-Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang-Landau Monte Carlo method. To evaluate the performance and…
We demonstrate machine-learning enabled large-scale dynamical simulations of electronic phase separation in double-exchange system. This model, also known as the ferromagnetic Kondo lattice model, is believed to be relevant for the colossal…
We show in this paper the results on the phase transition of the so-called fully frustrated simple cubic lattice with the Ising spin model. We use here the Monte Carlo method with the flat energy-histogram Wang-Landau technique which is…
Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction…
Monte Carlo simulation using a combination of Wang Landau (WL) and Transition Matrix (TM) Monte Carlo algorithms to simulate two lattice spin models with continuous energy is described. One of the models, the one dimensional Lebwohl-Lasher…
A model of two-species bosons moving on the sites of a lattice is studied at nonzero temperature, focusing on magnetic order and superfluid-insulator transitions. Firstly, Landau theory is used to find the general structure of the phase…
Wang and Landau proposed recently, a simple and flexible non-Boltzmann Monte Carlo method for estimating the density of states, from which the macroscopic properties of a closed system can be calculated. They demonstrated their algorithm by…
The mixed spin-(1,1/2) Ising-Heisenberg double sawtooth ladder containing mixture of both spin-1 and spin-1/2 nodal atoms, and the spin-1/2 interstitial dimers is approximately solved by the transfer-matrix method. Here, we study in detail…
Various types of mixed spin two-dimensional Heisenberg networks are investigated by means of Monte Carlo simulations. This study aims at interpreting quantitatively the thermodynamical properties of two-dimensional molecule-based magnets…
Extensive Monte Carlo simulations are performed to analyze a recent neutron diffraction experiment on a distorted triangular lattice compound RbCoBr$_3$. We consider a spin-lattice model, where both spin and lattice are Ising variables.…
An effective Ising model for the spin-ice type Kondo lattice model is investigated by the classical Monte Carlo simulation. We clarify the magnetic phase diagram with four phases: ice-ferro, ice-(0,0,2\pi), 32-sublattice, and all-in/all-out…
We present extensive Monte Carlo simulations on a two-dimensional XY model with a modified form of interaction potential. Thermodynamic quantities other than energy, specific heat etc (such as magnetization, susceptibility, fourth order…
We report on numerical simulations of the two-dimensional Blume-Capel ferromagnet embedded in the triangular lattice. The model is studied in both its first- and second-order phase transition regime for several values of the crystal field…
Magnetic phase transitions have been explored in a superlattice formed by stacking monolayers of $\rm LaTiO_{3}$ and $\rm LaVO_{3}$ alternately, using ab-initio density functional theory (DFT) and Monte-Carlo (MC) simulations. DFT derived…
We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with…
The occurrence of bcc-fcc ($\alpha$-$\gamma$) and fcc-bcc ($\gamma$-$\delta$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been proven by a…