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

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 linear response is a perturbation theory establishing the relationship between given
physical variable and the external field inducing this variable. A well-known example of the …

We critically reexamine the problem of interatomic exchange interactions, which describe
the total energy change caused by infinitesimal rotations of spins near some equilibrium …

Our analysis based on the results of hybrid and semilocal density-functional calculations
with and without Hubbard U correction for on-site Coulomb interactions reveals the true …

In antiferromagnets, the Dzyaloshinskii-Moriya interaction lifts the degeneracy of left-and
right-circularly polarized spin waves. This relativistic coupling increases the efficiency of spin …

The full-potential linearized augmented plane wave (FPLAPW) method based on the density
functional theory within the GGA and GGA+ U, is used to investigate the structural, magnetic …

We consider the extended Hubbard model and introduce a corresponding Heisenberg-like
problem written in terms of spin operators. The derived formalism is reminiscent of …

We study magnetic properties of CrO 2 within the density functional theory plus dynamical
mean-field theory (DFT+ DMFT) approach in the paramagnetic phase. We consider the 3 …

Magnetism of transition metal (TM) oxides is usually described in terms of the Heisenberg
model, with orientation-independent interactions between the spins. However, the …