This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

Magnetoelectric multiferroics, which display both ferroelectric and magnetic orders, are
appealing because of their rich fundamental physics and promising technological …

We present TB2J, a Python package for the automatic computation of magnetic interactions,
including exchange and Dzyaloshinskii–Moriya, between atoms of magnetic crystals from …

The discovery of two-dimensional (2D) magnetic materials provides an ideal testbed for
manipulating the magnetic properties at the atomically thin and 2D limit. This review gives …

The effective spin Hamiltonian method has drawn considerable attention for its power to
explain and predict magnetic properties in various intriguing materials. In this review, we …

Using the ab initio local force method, we investigate the formation mechanism of the helical
spin structure in GdRu 2 Si 2 and Gd 2 PdSi 3. We calculate the paramagnetic spin …

By means of first principles calculations, we investigate the nature of exchange coupling in
ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals …

We present a self-consistent method based on first-principles calculations to determine the
magnetic ground state of materials, regardless of their dimensionality. Our methodology is …

Understanding magnetism and its possible correlations to topological properties has
emerged to the forefront as a difficult topic in studying magnetic Weyl semimetals. Co 3 Sn 2 …

Motivated by the recent discovery of superconductivity in doped NdNiO 2, we study the
magnetic exchange interaction J in layered d 9 nickelates from first principles. The mother …