This review summarizes recent first-principles investigations of the electronic structure and
magnetism of dilute magnetic semiconductors (DMSs), which are interesting for applications …

A review of new developments in theoretical and experimental electronic-structure
investigations of half-metallic ferromagnets (HMFs) is presented. Being semiconductors for …

Magnons in ferromagnets have one chirality, and typically are in the GHz range and have a
quadratic dispersion near the zero wave vector. In contrast, magnons in antiferromagnets …

We propose an ab initio Boltzmann transport approach taking into account magnon-phonon
scattering (MPS) and three-phonon scattering simultaneously to accurately evaluate the …

We investigate the electronic and magnetic properties of Mn-doped monolayer MoS 2 using
a combination of first-principles density functional theory (DFT) calculations and Monte Carlo …

The body of research on (III, Mn) V diluted magnetic semiconductors (DMSs) initiated during
the 1990s has concentrated on three major fronts:(i) the microscopic origins and …

We performed a detailed microscopic analysis of the interlayer magnetic couplings for
bilayer CrI 3. As a first step toward understanding recent experimental observations and …

To understand the superconductivity recently discovered in Nd 0.8 Sr 0.2 NiO 2, we carried
out LDA+ DMFT (local density approximation plus dynamical mean-field theory) and …

Two-dimensional (2D) materials that exhibit spontaneous magnetization, polarization, or
strain (referred to as ferroics) have the potential to revolutionize nanotechnology by …

It has been predicted theoretically and indirectly confirmed experimentally that single-layer
Cr X 3 (X= Cl, Br, I) might be the prototypes of topological magnetic insulators (TMI). In this …