Related papers: Benchmarking magnetizabilities with recent density…
The cluster multipole (CMP) expansion for magnetic structures provides a scheme to systematically generate candidate magnetic structures specifically including noncollinear magnetic configurations adapted to the crystal symmetry of a given…
Magnetic helicity is a conserved quantity of ideal magneto-hydrodynamics characterized by an inverse turbulent cascade. Accordingly, it is often invoked as one of the basic physical quantities driving the generation and structuring of…
Combining material informatics and high-throughput electronic structure calculations offers the possibility of a rapid characterization of complex magnetic materials. Here we demonstrate that datasets of electronic properties calculated at…
Accelerator magnets made from blocks of permanent magnets in a zero-clearance configuration are known as Halbach arrays. The objective of this work is the fusion of knowledge from different measurement sources (material and field) and…
We demonstrate the quantitative measurement of the magnetization of individual magnetic nanoparticles (MNP) using a magnetic force microscope (MFM). The quantitative measurement is realized by calibration of the MFM signal using an MNP…
We present a machine-learning guided approach to predict saturation magnetization (MS) and coercivity (HC) in Fe-rich soft magnetic alloys, particularly Fe-Si-B systems. ML models trained on experimental data reveals that increasing Si and…
A new methodology for micromagnetic simulations of magnetic nanocomposites is presented. The methodology is especially suitable for simulations of two-phase composites consisting of magnetically hard inclusions in a soft magnetic matrix…
Molybdenum clusters, characterised by their unique structure and intriguing catalytic properties, have gained significant attention in recent years. In several existing studies density functional theory (DFT) methods have been used to find…
We revisit the derivation of the orbital magnetization formula for periodic crystals in current density functional theory (CDFT)[1]. Our new derivation computes the linear response of the energy density to a periodic magnetic field in the…
Magnetite has attracted increasing attention in recent years due to its promising and diverse applications in biomedicine. Theoretical modelling can play an important role in understanding magnetite-based nanomaterials at the atomic scale…
Polarization of starlight induced by dust grains aligned with the magnetic field (hereafter B-field) is widely used to measure the two-dimensional B-fields projected onto the plane-of-sky. Here, we introduce a new method to infer…
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…
The purpose of this article is to review the current status of a frontier in dynamic spintronics and contemporary magnetism, in which much progress has been made in the past decade, based on the creation of a variety of micro- and…
Methods based on the combination of the usual density functional theory (DFT) codes with the Hubbard models are widely used to investigate the properties of strongly correlated materials. Using first-principle calculations we study the…
The trapped magnetic field is examined in bulk high-temperature superconductors that are artificially drilled along their c-axis. The influence of the hole pattern on the magnetization is studied and compared by means of numerical models…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
Machine learning interatomic potentials (MLIPs) based on a large dataset obtained by density functional theory (DFT) calculation have been developed recently. This study gives both conceptual and practical bases for the high accuracy of…
Stray magnetic fields contain significant information about the electronic and magnetic properties of condensed matter systems. For two-dimensional (2D) systems, stray field measurements can even allow full determination of the source…
We numerically study the magnetization of small metallic clusters. The magnetic susceptibility is enhanced for lower electronic densities due to the stronger influence of electron-electron interactions. The magnetic susceptibility…
Effective demagnetizing factors that connect the sample magnetic moment with the applied magnetic field are calculated numerically for perfectly diamagnetic samples of various non-ellipsoidal shapes. The procedure is based on calculating…