Spin-split collinear antiferromagnets: A large-scale ab-initio study
Y Guo, H Liu, O Janson, IC Fulga, J van den Brink… - Materials Today …, 2023 - Elsevier
It was recently discovered that, depending on their symmetries, collinear antiferromagnets
can actually break the spin degeneracy in momentum space, even in the absence of spin …
can actually break the spin degeneracy in momentum space, even in the absence of spin …
Mott gap** in perovskites without Mott-Hubbard interelectronic repulsion energy U
The existence of band gaps in Mott insulators such as perovskite oxides with partially filled
3d shells has been traditionally explained in terms of strong, dynamic interelectronic …
3d shells has been traditionally explained in terms of strong, dynamic interelectronic …
Parametrization of for noncollinear magnetic configurations: Multipolar magnetism in
To explore the formation of noncollinear magnetic configurations in materials with strongly
correlated electrons, we derive a noncollinear LSDA+ U model involving only one parameter …
correlated electrons, we derive a noncollinear LSDA+ U model involving only one parameter …
Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal
By combining bulk sensitive soft-x-ray angular-resolved photoemission spectroscopy and
first-principles calculations we explored the bulk electron states of WTe 2, a candidate type-II …
first-principles calculations we explored the bulk electron states of WTe 2, a candidate type-II …
Evolution of the Coulomb interactions in correlated transition-metal perovskite oxides from the constrained random phase approximation
Determining the strength of electronic correlations of correlated electrons plays important
roles in accurately describing the electronic structures and physical properties of transition …
roles in accurately describing the electronic structures and physical properties of transition …
Converged quasiparticle energies for transition metal oxide perovskites
The ab initio calculation of quasiparticle (QP) energies is a technically and computationally
challenging problem. In condensed matter physics, the most widely used approach to …
challenging problem. In condensed matter physics, the most widely used approach to …
Evidence of electronic structural change at the metal-insulator transition in the perovskite
JS Zhou, XY Li, MD Johannes - Physical Review B, 2023 - APS
NaOs O 3 exhibits an unusual metal-insulator transition (MIT) that has been touted as Slater
type, though there are observations that do not entirely conform to this ty**. Consistent …
type, though there are observations that do not entirely conform to this ty**. Consistent …
Vibronic Coupling of Adjacent Single-Atom Co and Zn Sites for Bifunctional Electrocatalysis of Oxygen Reduction and Evolution Reactions
With the goal of improving the activity of single-atom catalysts, in-depth investigations were
performed to design adjacent single-metal sites to produce a modulation effect by using …
performed to design adjacent single-metal sites to produce a modulation effect by using …
Two-magnon scattering in the 5d all-in-all-out pyrochlore magnet Cd2Os2O7
Abstract 5 d pyrochlore oxides with all-in-all-out magnetic order are prime candidates for
realizing strongly correlated, topological phases of matter. Despite significant effort, a full …
realizing strongly correlated, topological phases of matter. Despite significant effort, a full …
Spin-Orbit Coupling Controlled Electronic Ground State in Oxides
Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum
and topological physical states. Here we report resonant inelastic x-ray scattering …
and topological physical states. Here we report resonant inelastic x-ray scattering …