Motivated by the report of superconductivity in bilayer La 3 Ni 2 O 7 at high pressure, we
examine the interacting electrons in this system. First-principles many-body theory is utilized …

Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for
application in energy harvesting technology because the transverse geometry of the Nernst …

The correlated electronic structure of the infinite-layer compounds NdNiO 2 and SrCuO 2 at
stoichiometry and with finite hole doping is compared. Key differences are elucidated from …

The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry
and with doping is revealed. We investigate the correlated electronic structure of NdNiO 2 at …

The natural-heterostructure concept realized in delafossites highlights these layered oxides.
While metallic, band-or Mott-insulating character may be associated with individual layers …

A method combining molecular dynamics (MD) and Monte Carlo (MC) simulation is used to
analyze the short-range ordering and grain boundary (GB) segregation in the bi-crystals of …

The novel nickelate superconductors of infinite-layer type feature challenging electronic
pecularities in the normal-state phase diagram with doping. Distinct many-body behavior …

The effect of Al on the crystal structures of the high-entropy alloy Al x CrFeCoNi is discussed
using first-principles electronic structure calculations. When the atomic configuration is …

Using advanced dynamical mean-field theory on a realistic level we study the normal-state
correlated electronic structure of the high-pressure superconductor La 3 Ni 2 O 7 and …

Forming metallurgical phases has a critical impact on the performance of dissimilar
materials joints. Here, we shed light on the forming mechanism of equilibrium and non …