Related papers: AMaRaNTA: Automated First-Principles Exchange Para…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of…
Monolayer Fe$_2$C is expected to possess strong electronic correlations, which can significantly contribute to electronic and magnetic properties. In this work we consider electronic and magnetic properties of MXene Fe$_2$C within the…
Disordered quantum antiferromagnets in two-dimensional compounds have been a focus of interest in the last years due to their exotic properties. However, with very few exceptions, the ground states of the corresponding Hamiltonians are…
We consider a family of random matrix ensembles (RME) invariant under similarity transformations and described by the probability density $P({\bf H})= \exp[-{\rm Tr}V({\bf H})]$. Dyson's mean field theory (MFT) of the corresponding plasma…
Nd-Fe-B magnets are the most widely used high performance magnets in the world today, and remain the subject of both experimental and computational research aimed at understanding and optimizing them. Atomistic spin dynamics (ASD) is one…
We suggest here the method of the mapping of DFT calculations on the multiorbital model in a following way: the parameters of the formulated multiorbital model should be determined from the requirement that the self-consistent charge and…
Machine learning potentials have emerged as a powerful tool to extend the time and length scales of first principles-quality simulations. Still, most machine learning potentials cannot distinguish different electronic spin orientations and…
Magnetic reconnection (MR) plays a fundamental role in plasma dynamics under many different conditions, from space and astrophysical environments to laboratory devices. High-resolution in-situ measurements from space missions allow to study…
The problem of magnetic transitions between the low-temperature (macrospin ordered) phases in 2D XY arrays is addressed. The system is modeled as a plane structure of identical single-domain particles arranged in a square lattice and…
First principles density functional theory (DFT) is used to investigate the electronic structure of \beta-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predicts a gapless ferromagnet in contrast with experiment…
Hot deformation process is one of the primary methods to produce anisotropic rare earth permanent magnets. Firstly, rapidly quenched powder flakes with nanocrystal structure are condensed into the full dense isotropic precursors by hot…
We present a comprehensive macroscopic thermodynamic study of the quasi-one-dimensional (1D) $s = \tfrac{1}{2}$ frustrated spin-chain system linarite. Susceptibility, magnetization, specific heat, magnetocaloric effect, magnetostriction,…
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…
We compute the magnetic susceptibilities of interacting electrons in the presence of disorder on a two-dimensional square lattice by means of quantum Monte Carlo simulations. Clear evidence is found that at sufficiently low temperatures…
We introduce a new approach to the periodic Anderson model (PAM) that allows a detailed investigation of the magnetic properties in the Kondo as well as the intermediate valence regime. Our method is based on an exact mapping of the PAM…
A large variety of materials can be approximately described by means of spin-1/2 Heisenberg ladders. Here, the Density Matrix Renormalization Group (DMRG) algorithm together with a previously established numerical self-consistent mean-field…
In strongly magnetized astrophysical plasma systems, magnetic reconnection is believed to be a primary process during which explosive energy release and particle acceleration occur, leading to significant high-energy emission. Past years…
Electromagnetic metasurfaces offer the capability to realize almost arbitrary power conserving field transformations. These field transformations are governed by the generalized sheet transition conditions, which relate the tangential…
We study an integrable two-leg spin-1/2 ladder with an XYZ-type rung interaction. Exact rung states and rung energies are obtained for the anisotropic rung coupling in the presence of a magnetic field. Magnetic properties are analyzed at…