Related papers: Pressure-induced two-step spin crossover in double…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
We theoretically study the crossover between spin Hall effect and spin swapping, a recently predicted phenomenon that consists in the interchange between the current flow and its spin polarization directions [Lifshits and Dyakonov, Phys.…
Phase transitions in the three-dimensional diluted Ising antiferromagnet in an applied magnetic field are analyzed numerically. It is found that random magnetic field in a system with spin concentration below a certain threshold induces a…
We explore the equilibrium properties of a two-dimensional Ising spin model with short-range exchange and long-range dipolar interactions as a function of the applied magnetic field H. The model is studied through extensive Monte Carlo…
We have investigated the pressure-induced spin-state transition in Co$^{2+}$ systems in terms of a competition between the Hund's exchange energy ($J$) and the crystal-field splitting ($\Delta_{CF}$). First, we show the universal…
The mechanism that drives a metal-insulator transition in an undoped quasi-one-dimensional Mott insulator is examined in the framework of the Hubbard model with two different hoppings t_{perp 1} and t_{perp 2} between nearest-neighbor…
We study the ground state (GS) and the phase transition in a hexagonal-close-packed lattice with both XY and Ising models by using extensive Monte Carlo simulation. We suppose the in-plane interaction $J_1$ and inter-plane interaction…
Using Car-Parrinello molecular dynamics calculations we investigate the behavior of the low-dimensional multiorbital Mott insulator TiOCl under pressure. We show that the system undergoes {\it two} consecutive phase transitions, first at…
A quasi 2-dimensional recursive lattice formed by planar elements have been designed to investigate the surface thermodynamics of Ising spin glass system with the aim to study the metastability of supercooled liquids and the ideal glass…
Spin-state transitions, observed in many transition metal compounds containing Co$^{3+}$ and Fe$^{2+}$, may occur with the change of temperature, pressure, but also with doping, in which case the competition of single-site effects and…
The strength of perpendicular anisotropy is known to drive the spin reorientation in thin magnetic films. Here we consider the effect different order anisotropies have on two phase transitions; the spin reorientation transition and the…
We describe a 2D spring-block model for the transition from static to kinetic friction at an elastic slider/rigid substrate interface obeying a minimalistic friction law (Amontons-Coulomb). By using realistic boundary conditions, a number…
The non-equilibrium phase transition in driven two-dimensional Ising models with two different geometries is investigated using Monte Carlo methods as well as analytical calculations. The models show dissipation through fluctuation induced…
A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…
Silicon undergoes a phase transition from the semiconducting diamond phase to the metallic beta-Sn phase under pressure. We use quantum Monte Carlo calculations to predict the transformation pressure and compare the results to density…
We investigate the crossover of critical behavior for the dynamic phase transition (DPT) in ferromagnetic thin films using Monte Carlo simulations of the kinetic Ising model, focusing on the scaling behavior of the dynamic order parameter…
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…
Ab initio calculations predict a metal-insulator transition at zero temperature to occur in La$_4$Ni$_3$O$_8$ at moderate pressures as a result of a pressure-induced spin-state transition. The spin-state transition that is seen at 105 K at…
We present a {\it numerically exact} study of the Hubbard model with spin-dependent anisotropic hopping on the square lattice using auxiliary-field quantum Monte Carlo method. At half filling, the system undergoes Ising phase transitions…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin…