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We report numerical investigation of the glassy behavior of random-field exchange models in three dimensions. Correlation of energy with the magnetization for different numbers of spin components has been studied. There is a profound…
We study an irreversible Markov chain Monte Carlo method based on a skew detailed balance condition for an one-dimensional Ising model. Dynamical behavior of the magnetization density is analyzed in order to understand the properties of…
This letter predicts unprecedented order-to-disorder transition behaviors in multicomponent MXenes using an integrated and improved first-principles Monte Carlo (MC) framework. The improvements include (i) structural relaxation and (ii)…
Droplet nucleation and evaporation are ubiquitous in nature and many technological applications, such as phase-change cooling and boiling heat transfer. So far, the description of these phenomena at the molecular scale has posed challenges…
We present a novel pairing mechanism for electrons, mediated by magnons. These paired bound states are termed ``magnetic doublons''. Applying numerically exact techniques (full diagonalization and the density-matrix renormalization group,…
The double-exchange model, which has been extensively studied in the context of colossal magneto-resistance in perovskite manganese oxides, is known to exhibit a ferromagnetic metallic state at low temperatures because of the interplay…
We demonstrate that applying modest magnetic fields during high-temperature crystal growth can profoundly alter the structure and ground state of a spin-orbit-coupled, antiferromagnetic trimer lattice. Using BaIrO3 as a model system, whose…
The dynamics of a random (quenched) field Ising model (in two dimension) at zero temperature in the presence of an additional sinusoidally oscillating homogeneous (in space) magnetic field has been studied by Monte Carlo simulation using…
Within the framework of the $s$-$d(f)$ exchange model in the mean-field approximation for square, simple cubic, body-centered and face-centered cubic lattices, the formation of a ferromagnetic, spiral, and commensurate antiferromagnetic…
We propose a novel interaction-based route to half-metal state for interacting electrons on two-dimensional lattices. Magnetic field applied parallel to the lattice is used to tune one of the spin densities to a particular commensurate with…
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…
We theoretically investigate four types of dynamical instability, in particular the periodic and oscillatory type $I_O$, in an anti-ferromagnetic spin-1 Bose-Einstein condensate in a nonzero magnetic field, by employing the coupled-mode…
We study the heat-induced magnetization dynamics in a toy model of a ferrimagnetic alloy, which includes localized spins antiferromagnetically coupled to an itinerant carrier system with a Stoner gap. We determine the one-particle…
Taking the orbital degeneracy of $e_g$ conduction bands and the Coulomb interaction into account in a double-exchange model, we investigate charge dynamics of perovskite Mn oxides by the Lancz$\ddot{\rm o}$s diagonalization method. In the…
Building on our previously introduced Multi-cell Monte Carlo (MC)^2 method for modeling phase coexistence, this paper provides important improvements for efficient determination of phase equilibria in solids. The (MC)^2 method uses multiple…
In insulating lanthanides, unquenched orbital momentum and weak crystal-field (CF) splitting of the atomic $J$ multiplet at lanthanide ions result in a highly ranked (multipolar) exchange interaction between them and a complex…
In this review, the present status of theories for manganites is discussed. The complex phase diagrams of these materials, with a variety of spin-charge-orbital ordering tendencies, is addressed using mean-field and Monte Carlo simulation…
Multipolar magnetic phases in correlated insulators represent a great challenge for Density Functional Theory (DFT) due to the coexistence of intermingled interactions, typically spin-orbit coupling, crystal field and complex non-collinear…
Electrons in the pyrochore iridates experience a large interaction energy in addition to a strong spin-orbit interaction. Both features make the iridates promising for realizing novel states such as the Topological Mott Insulator. The…
We study magnetic properties of the extended periodic Anderson model, which includes electron correlations within and between itinerant and localized bands. By combining dynamical mean-field theory with the numerical renormalization group…