Related papers: AMaRaNTA: Automated First-Principles Exchange Para…
We analytically explore the dynamics of a charged active particle coupled to two thermal baths kept at two different temperatures in two dimensions. The particle is confined to an asymmetric harmonic potential and a magnetic field of…
In this paper, we introduce an efficient, linear algebra-based method for optimizing supercell selection to determine Heisenberg exchange parameters from DFT calculations. A widely used approach for deriving these parameters involves…
The microscopic origin of metamagnetism and metamagnetic transitions in strongly anisotropic antiferromagnets is investigated within a quantum mechanical theory of correlated electrons. To this end the Hubbard model with staggered…
In the present work, we investigate the effects of long-range interactions on the phase transitions of two-dimensional ferromagnetic models with single-ion anisotropy at zero and finite temperatures. The Hamiltonian is given by…
Magnetism in recently discovered van der Waals materials has opened new avenues in the study of fundamental spin interactions in truly two-dimensions. A paramount question is what effect higher-order interactions beyond bilinear Heisenberg…
We present a perspective on the status of antiferromagnetism in two-dimensional (2D) materials. Various types of spin-compensated orders are discussed and include non-collinear order, spin spirals and altermagnetism. Spin-orbit effects…
The systems exhibiting quantum phase transitions (QPT) are investigated within the Ising model in the transverse field and Heisenberg model with easy-plane single-site anisotropy. Near QPT a correspondence between parameters of these models…
We perform numerical simulations of the 2-d antiferromagnetic quantum Heisenberg model using an efficient cluster algorithm. Comparing the finite size and finite temperature effects of various quantities with recent results from chiral…
Two dimensional (2D) magnets have emerged as a compelling platform for spin based nanoelectronics, enabling atomic scale control of magnetic order, interfaces, quantum geometry, and symmetry. Here, we highlight recent advances in 2D…
The exchange effect and the magneto-plasmon mode dispersion are studied theoretically for an anisotropic two-dimensional electronic system in the presence of an uniform perpendicular magnetic field. Employing an effective low-energy model…
Magnetic reconnection is a leading mechanism for magnetic energy conversion and high-energy non-thermal particle production in a variety of high-energy astrophysical objects, including ones with relativistic ion-electron plasmas (e.g.,…
Ferromagnetism (FM) is the cornerstone of permanent magnets, data storage and other technologies that directly impact our everyday life by their implementation in standard applications and devices. When downscaling bulk materials into their…
We have developed a fully microscopic theory of magnetic properties of the prototype molecular magnet Mn12. First, the intra-molecular magnetic properties have been studied by means of first-principles density functional-based methods, with…
The pivotal role of magnetic anisotropy in stabilising two-dimensional (2D) magnetism has been widely accepted, however, direct correlation between magnetic anisotropy and long-range magnetic ordering in the 2D limit is yet to be explored.…
We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…
For many-electron systems, the second-order reduced density matrix (2-RDM) provides sufficient information for characterizing their properties of interests in physics and chemistry, ranging from total energy, magnetism, quantum correlation…
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown…
Perpendicular magnetic anisotropy (PMA) is a necessary condition for many spintronic applications like spin-orbit torques switching, logic and memory devices. An important class of magnetic insulators with low Gilbert damping at room…
The statement that any phase transition is related to the appearance or disappearance of long-range spatial correlations precludes a finite transition temperature in one-dimensional (1D) systems. In this paper we demonstrate that the 1D…
First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO$_3$. Such parameters include the symmetric exchange (SE) couplings…