Related papers: AMaRaNTA: Automated First-Principles Exchange Para…
A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe$_{12}$N, is a material that goes beyond today's champion magnet compound Nd$_{2}$Fe$_{14}$B in its intrinsic…
We present a method of extracting the exchange parameters of the classical Heisenberg model from first-principles calculations of spin-spiral total energies based on density functional theory. The exchange parameters of the transition-metal…
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…
Two-dimensional (2D) Rashba systems have been intensively studied in the last decade due to their unconventional physics, tunability capabilities, and potential for spin-charge interconversion when compared to conventional heavy metals.…
Previous works have controversially claimed near-room temperature ferromagnetism in two-dimensional (2D) VSe$_2$, with conflicting results throughout the literature. These discrepancies in magnetic properties between both phases (T and H…
The technique of density matrix equation (DME) for a small system interacting with a bath is explained in detail. Special attention is given to the nonsecular DME that is needed in the vicinity of overdamped tunnelling resonances in…
We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5$d$ elements we find orbital moments of the order of 0.3-0.5 $\mu_\mathrm{B}$,…
We derive four reduced two-dimensional models that describe, at different spatial scales, the micromagnetics of ultrathin ferromagnetic materials of finite spatial extent featuring perpendicular magnetic anisotropy and interfacial…
In this work, we develop a neural network-based, data-driven, decoupled multiscale scheme for the modeling of structured magnetically soft magnetorheological elastomers (MREs). On the microscale, sampled magneto-mechanical loading paths are…
Magnetoelasticity plays a crucial role in numerous magnetic phenomena, including magnetocalorics, magnon excitation via acoustic waves, and ultrafast demagnetization/Einstein-de Haas effect. Despite a long-standing discussion on…
The rapidly increasing number of 2-dimensional (2D) materials that have been isolated or synthesized provides an enormous opportunity to realize new device functionalities. Whereas their optical and electrical characterization have been…
The competition of magnetic exchange interactions and tunneling underlies many complex quantum phenomena observed in real materials. We study non-equilibrium magnetization dynamics in an extended 2D system by loading effective spin-1/2…
We describe a new theoretical and numerical framework of the magnetohydrodynamic simulation incorporated with an anisotropic pressure tensor, which can play an important role in a collisionless plasma. A classical approach to handle the…
Untethered magnetic manipulation of biomedical millirobots has a high potential for minimally invasive surgical applications. However, it is still challenging to exert high actuation forces on the small robots over a large distance.…
Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear, computationally intensive, and can be difficult to interpret, while often only…
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workflows. We investigate a simple protocol to compress both…
Magnetic structures, which play a central role in determining their physical properties, are known for only very limited compounds. Traditional theoretical approaches to predicting magnetic structures predominantly rely on first-principles…
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
We present an automated approach for identifying magnetospheric regions using supervised machine learning techniques applied to Magnetospheric MultiScale mission data. Our method utilizes ion energy spectra, total magnetic field, total ion…
A solution to energy-efficient magnetization switching in a nanoparticle with biaxial anisotropy is presented. Optimal control paths minimizing the energy cost of magnetization reversal are calculated numerically as functions of the…