Magnetism in systems that do not contain transition metal or rare earth ions was recently
observed or predicted to exist in a wide variety of systems. We summarize both experimental …

Using the first-principles full-potential linearized augmented plane-wave method based on
density functional theory, we have investigated the electronic structure and magnetism of …

The emergence of the field of spintronics has brought half-metallic ferromagnets to the
centre of scientific research. A lot of interest was focused on newly created transition-metal …

Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X=
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …

First-principles calculations are employed to study the structural and magnetic properties of
SrC and BaC in four different phases: rocksalt, CsCl, zinc blende, and NiAs. The obtained …

The first-principles full-potential linearized augmented plane-wave method within the
generalized gradient approximation for the exchange–correlation functional is used to …

The possibility of ferromagnetic half-metallicity in lithium-based half-Heusler alloys, such as
MnPLi, has been theoretically explored before [Damewood et al., Phys. Rev. B 91, 064409 …

Electronic, magnetic, and structural properties of several II AV compounds are analyzed
using ab initio calculations. We consider four crystal structures: zinc-blende, NiAs, rocksalt …

Correlation effects play an important role in the electronic structure of half-metallic (HM)
magnets. In particular, they give rise to nonquasiparticle states above (or below) the Fermi …

We present an overview on the magnetic properties of the half-heusler XCsBa compounds
(where X= C, Si and Ge). The spin-polarized calculations by use of the full potential linear …