A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …

When the rare earth mononitrides (RENs) first burst onto the scientific scene in the middle of
last century, there were feverish dreams that their strong magnetic moment would afford a …

The electronic structures and magnetic properties of many rare-earth monopnictides are
reviewed in this article. Possible candidate materials for spintronics devices from the rare …

We present an atomic-orbital-based approximate scheme for self-interaction correction (SIC)
to the local-density approximation (LDA) of density-functional theory. The method, based on …

In this chapter, we suggest a recent modification to the self-interaction correction, which
allows one to recast the self-interaction correction into a form that is explicitly invariant to …

We report computer based simulations of energetics, spectroscopy, and electron-phonon
interaction of americium using a novel spectral density functional method. This approach …

We present the results of an ab initio study of the electronic structure of 140 rare earth
compounds. Specifically, we predict an electronic phase diagram of the entire range of rare …

The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN
are calculated. The total energy is evaluated with the self-interaction corrected local spin …

We studied the behavior of nontrivial Dirac fermion states in the antiferromagnetic metal
SmBi using angle-resolved photoemission spectroscopy (ARPES). The experimental results …

This review tries to establish what is the current understanding of the rare-earth
monopnictides and monochalcogenides from first principles. The rock salt structure is …