Related papers: Oxidation State Dynamics and Emerging Patterns in …
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
This work presents a Monte Carlo study of the phase transition in the perovskites La$_{0.7}$Sr$_{0.3}$Mn$_{0.7}^{3+}$Mn$_{0.3-x}^{4+}$Ti$_x$O$_3$ ($x$= 0.1, 0.2, and 0.25). We take into accountnearest-neighbor (NN) interactions between…
We use Monte Carlo and molecular dynamics simulation to study a magnetic tip-sample interaction. Our interest is to understand the mechanism of heat dissipation when the forces involved in the system are magnetic in essence. We consider a…
The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…
We discuss numerical and theoretical results for models of magnetization switching in nanoparticles and ultrathin films. The models and computational methods include kinetic Ising and classical Heisenberg models of highly anisotropic…
Several new features arise in the ground-state phase diagram of a spin-1 condensate trapped in an optical trap when the magnetic dipole interaction between the atoms is taken into account along with confinement and spin precession. The…
We report a detail theoretical study of the electronic structure and phase stability of transition metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic B1 structure by employing dynamical mean-field theory of correlated electrons…
Critical relaxation from a low-temperature fully ordered state of Fe2/V13 iron-vanadium magnetic superlattice models has been studied using the method of short-time dynamics. Systems with three variants of the ratio R of inter- to…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…
The advance of magnetic nanotechnologies relies on detailed understanding of nanoscale magnetic mechanisms in materials. Magnetic domain memory (MDM), i.e., the tendency for magnetic domains to repeat the same pattern during field-cycling,…
Markov state models (MSMs) are a powerful tool to analyze and coarse-grain complex dynamical data into interpretable kinetic processes. This capability is particularly important in heterogeneous catalysis, where a medley of reactants and…
Magnetic properties of the intermetallic compound NdCo$_2$Si$_2$ are investigated by using the Monte Carlo simulation (MCs) under Metropolis algorithm. The magnetism of the compound is caused by the existence of the rare earth (Nd3+) ions…
The metal-insulator transition, and the associated magnetic transition, in the colossal magnetoresistance (CMR) regime of the one-orbital model for manganites is here studied using Monte Carlo (MC) techniques. Both cooperative oxygen…
Magnetite (Fe$_{3}$O$_{4}$), an archetypal transition metal oxide, has been used for thousands of years, from lodestones in primitive compasses[1] to a candidate material for magnetoelectronic devices.[2] In 1939 Verwey[3] found that bulk…
Magnetic, thermodynamic, and magnetocaloric properties of a spin-1/2 Heisenberg octahedral chain with three distinct exchange interactions are investigated in an external magnetic field using the variational method, extended…
Magnetic and electronic states of an Ising-spin Kondo lattice model on a kagome lattice are investigated by a Monte Carlo simulation. In addition to the conventional ferromagnetic and ferrimagnetic orders, we show that this model exhibits…
We report the complex magnetic phase diagram and electronic structure of Cr2(Te1-xWx)O6 systems. While compounds with different x values possess the same crystal structure, they display different magnetic structures below and above xc =…
Metal to insulator transitions (MITs) driven by strong electronic correlations are common in condensed matter systems, and are associated with some of the most remarkable collective phenomena in solids, including superconductivity and…
Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially valuable functionalities. Altered magnetization,…
We have used the Monte Carlo (MC) simulation method with Metropolis algorithm to study the finite temperature phase transition properties of a binary alloy spherical nanoparticle with radius $r$ of the type $A_{p}B_{1-p}$. The system…