The magnetic energy levels of a given magnetic solid are closely packed in energy because
the interactions between magnetic ions are weak. Thus, in describing its magnetic …

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 …

The recent development in the field of two-dimensional magnetic materials urges reliable
theoretical methodology for determination of magnetic properties. Among the available …

Low-energy excitation energies of a magnetic solid with localized spins are probed by
magnetic susceptibility, neutron scattering and Raman scattering measurements, and are …

Recent developments in electronic structure theory have led to a new understanding of
magnetic materials at the microscopic level. This enables a truly first-principles approach to …

Conspectus For most chemists and physicists, electron spin is merely a means needed to
satisfy the Pauli principle in electronic structure description. However, the absolute …

We present ab initio density functional calculations of the magnetic anisotropy of dimers of
the transition-metal atoms from groups 8 to 10 of the Periodic Table. Our calculations are …

Several reports of electron paramagnetic resonance experiments performed on the spin-
Peierls compound have appeared so far, but none of them have precisely explained the …

We present a robust, automatic high-throughput workflow for the calculation of magnetic
ground state of solid-state inorganic crystals, whether ferromagnetic, antiferromagnetic or …

Using first-principles theory, we have calculated the energy of Gd as a function of spin
direction, θ, between the c and a axes and found good agreement with experiment for both …