Sergey Y. Savrasov

TL;DR: In this paper, the authors explore a different mechanism where the occupied $d$ states subjected to a tetrahedral crystal field produce an active manifold behaving as a state with an effective orbital momentum equal to $ensuremath{-}1, and pushing ${j}_{\mathrm{eff}}=1/2$ doublet at a higher energy.

TL;DR: In this paper, the 3D transition metal monoxides MnO, FeO, CoO and NiO were analyzed as a function of pressure within density functional theory and the role of increasing bandwidth must be considered in any explanation of spin collapse that these materials may exhibit under pressure.

TL;DR: A computer program LMTART for electronic structure calculations using full potential linear muffin-tin orbital method is described in this paper, which is based on the LMTT method.

TL;DR: In this article, the authors used a modern electronic structure method combining density functional theory of band electrons with dynamical self-energies of strongly correlated states to predict that two well-known phases of actinide compound UNiSn, a paramagnetic semiconducting and antiferromagnetic metallic, correspond to Topological Insulator (TI) and Weyl semimetal (WSM) phases of topological quantum matter.

TL;DR: In this article, it was shown by quantum Monte Carlo simulations of realistic Kondo lattice models derived from electronic-structure calculations that multiple quantum critical points can be realized in plutonium-based materials.