Related papers: AMaRaNTA: Automated First-Principles Exchange Para…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
We consider analytically and numerically an anisotropic spin-$\frac{1}{2}$ delta-chain (sawtooth chain) with nearest-neighbor ferromagnetic and next-nearest-neighbor antiferromagnetic interactions. For certain values of the interactions a…
We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations.…
The current progress in describing rare-earth-based magnets' electronic structure and magnetic properties is discussed. We use several currently popular electronic structure methods to show the typical values of critical parameters that…
The effect of the anisotropy in the exchange interaction on the phase diagrams and magnetization behavior of the Heisenberg thin film has been investigated with effective field formulation in a two spin cluster using the decoupling…
The fully three dimensional governing equations in the electron magnetohydrodynamic (EMHD) regime for a plasma with inhomogeneous density is obtained. These equations in the two dimensional (2-D) limit can be cast in terms of the evolution…
We employ a combination of machine learning and first-principles calculations to predict magnetic properties of rare-earth lean magnets. For this purpose, based on training set constructed out of experimental data, the machine is trained to…
We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…
The thermodynamics of a site-diluted ferromagnetic Heisenberg model for spin $S=1/2$ with interaction anisotropy in spin space is investigated. The study is aimed at presenting the magnetocaloric properties of such a model, including the…
Magnetocaloric materials, which exploit reversible temperature changes induced by magnetic field variations, are promising for advancing energy-efficient cooling technologies. The potential integration of two-dimensional materials into…
We investigate the application of deep learning techniques employing the conditional variational autoencoders for semi-supervised learning of latent parameters to describe phase transition in the two-dimensional (2D) ferromagnetic Ising…
Magnetic materials are usually characterized by anisotropy energy barriers which dictate the time scale of the magnetization decay and consequently the magnetic stability of the sample. Here we present a unified description, which includes…
We introduce a new representation of an integer spin $S$ via bosonic operators which is useful in describing the paramagnetic phase and transitions to magnetically ordered phases in magnetic systems with large single-ion easy-plane…
We investigate the far-from-equilibrium nature of magnetic anisotropy and exchange interactions between molecular magnets embedded in a tunnel junction. By mapping to an effective spin model, these magnetic interactions can be divided into…
Hematite is a canted antiferromagnetic insulator, promising for applications in spintronics. Here, we present ab initio calculations of the tensorial exchange interactions of hematite and use them to understand its magnetic properties by…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
The magnetic properties of two-dimensional altermagnets can be obtained from a square lattice Heisenberg model with antiferromagetic nearest neighbor interaction and two types of next-nearest neighbor interactions arranged in a checkerboard…
Superconducting accelerator magnets require sophisticated monitoring and means of protection due to the large energy stored in the magnetic field. Numerical simulations play a crucial role in understanding transient phenomena occurring…
We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using the susceptibilities obtained within the ladder…
Field-induced antiferromagnetic (AF) fluctuations and magnetization are observed above the (zero-field) ordering temperature, T_N = 23 K by electron spin resonance in kappa-(BEDT-TTF)_2Cu[N(CN)_2]Cl, a quasi two-dimensional antiferromagnet…