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

In this work, we present theoretical predictions of a two-dimensional collinear
antiferromagnetic semimetal, CrO, which exhibits a giant spin-split band structure, spin …

A material's magnetic state and its dynamics are of great fundamental research interest and
are also at the core of a wide plethora of modern technologies. However, reliable access to …

Using relativistic first-principles calculations, we show that the chemical trend of the
Dzyaloshinskii-Moriya interaction (DMI) in 3 d-5 d ultrathin films follows Hund's first rule with …

A parallel implementation of coupled spin–lattice dynamics in the LAMMPS molecular
dynamics package is presented. The approach is very general, and can be applied to simple …

Few-layer CrI 3 is the most known example among two-dimensional (2D) ferromagnets,
which have attracted growing interest in recent years. Despite considerable efforts and …

Solid state theory, density functional theory and its generalizations for correlated systems
together with numerical simulations on supercomputers allow nowadays to model magnetic …

Magnetic skyrmions are prime candidates for the next generation of spintronic devices.
Skyrmions and other topological magnetic structures are known to be stabilized by the …

In recent years, the skyrmion lattice phase with a short lattice constant has attracted attention
due to its high skyrmion density, making it a promising option for achieving high-density …

We study the electronic structure and magnetism of monolayer 3d transition-metal
ditellurides MTe 2 (M= Ti, V, Cr, Mn, Fe, Co and Ni) in trigonal prismatic H-and/or octahedral …