The aim of this review article is to assess the descriptive capabilities of the Hubbard‐rooted
LDA+ U method and to clarify the conditions under which it can be expected to be most …

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

Layered transition-metal trichalcogenides with the chemical formula ABX 3 have attracted
recent interest as potential candidates for two-dimensional magnets. Using first-principles …

In this paper we introduce a generalization of the popular DFT+ U method based on the
extended Hubbard model that includes on-site and inter-site electronic interactions. The …

We investigate the electronic and structural properties of CuO, which shows significant
deviations from the trends obeyed by other transition-metal monoxides. Using an extended …

Microscopic origin of the ferromagnetic (FM) exchange coupling in two Cr trihalides, CrCl 3
and CrI 3, their common aspects and differences, are investigated on the basis of density …

The electronic and magnetic properties of many strongly correlated systems are controlled
by a limited number of states, located near the Fermi level and well isolated from the rest of …

To explore the formation of noncollinear magnetic configurations in materials with strongly
correlated electrons, we derive a noncollinear LSDA+ U model involving only one parameter …

We report on band-structure calculations and a microscopic model of the low-dimensional
magnet β-Cu 2 V 2 O 7. Magnetic properties of this compound can be described by a spin-1 …

Recent observations of topological spin textures brought spintronics one step closer to new
magnetic memories. Nevertheless, the existence of Skyrmions, as well as their stabilization …