Related papers: Pressure-induced two-step spin crossover in double…
A crossover between two mechanisms destabilizing the magnetization in equilibrium by the spin transfer effect is found in a ferromagnetic multilayer consisting of an in-plane magnetized free layer and a perpendicularly magnetized pinned…
Spin crossover molecules have two accessible states: high spin (HS) and low spin (LS). We show that, on the pyrochlore lattice, elastic interactions between SCO molecules can give rise to three spin-state ice phases. Each is a ``Coulomb…
High-pressure properties of MnPS$_3$ are investigated by using the hybrid functional, we report a spin-crossover pressure of 35 GPa consisting with experimental observation (30 GPa), less than half of existing report (63 GPa) using the…
Structural symmetry of crystals plays important roles in physical properties of two-dimensional (2D) materials, particularly in the nonlinear optics regime. It has been a long-term exploration on the physical properties in 2D materials with…
We use direct numerical simulation (DNS) to investigate mass transfer between liquid steel and slag during a metallurgical secondary refinement process through two reduced-scale water experiments, which reproduce the dynamics seen in an…
We use Monte Carlo (MC) methods to simulate a two-dimensional (2D) bond-diluted Ising model on the square lattice which has frustration between the nearest-neighbor interaction J1 and the next-nearest-neighbor interaction J2. In this paper,…
The existence of second-order structural phase transition in the SnS at a pressure of 16 GPa has been proved theoretically. The calculation is performed using the plane-wave pseudopotential approach to density-functional theory within the…
We utilize a glass-like structural transition in order to induce a Mott metal-insulator transition in the quasi-two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br. In this material, the terminal ethylene…
Understand the nature of liquid structure and its evolution under different conditions is a major challenge in condensed physics and materials science. Here, we report a pressure-induced structure change spanning a wide pressure range in…
The possibility of the strong electron-electron interaction driven insulating phase from the metallic phase in two-dimensions has been suggested for clean systems without intentional disorder, but its rigorous demonstration is still…
High-pressure torsion (HPT), a technique of severe plastic deformation (SPD), is shown as a promising processing method for exchange-spring magnetic materials in bulk form. Powder mixtures of Fe and SmCo$_{5}$ are consolidated and deformed…
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with…
We investigate Isotropic - Nematic transition in liquid crystal elastomers employing non-Boltzmann Monte Carlo techniques. We consider a lattice model of a liquid elastomer and Selinger-Jeon-Ratna Hamiltonian which accounts for…
Elucidating the physics of the single-orbital Hubbard model in its intermediate coupling regime is a key missing ingredient to our understanding of metal-insulator transitions in real materials. Using recent non-perturbative many-body…
A colossal insulator-to-metal transition in high-spin pyrite phase of $MnS_{2}$ has been experimentally observed \cite{colomns2}. There are two possibilities behind this colossal insulator-to-metal transition: (1) migration of $Mn$…
A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…
We have varied the disorder in a two-dimensional electron system in silicon by applying substrate bias. When the disorder becomes sufficiently low, we observe the emergence of the metallic phase, and find evidence for a metal-insulator…
Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
We study a two-species bosonic Hubbard model on a two-dimensional square lattice by means of quantum Monte Carlo simulations. In addition to the usual contact repulsive interactions between the particles, the Hamiltonian has an…