npj Computational Materials | 2021
From basic properties to the Mott design of correlated delafossites
Abstract
The natural-heterostructure concept realized in delafossites highlights these layered oxides. While metallic, band- or Mott-insulating character may be associated with individual layers, inter-layer coupling still plays a decisive role. We review the correlated electronic structure of PdCoO 2 , PdCrO 2, and AgCrO 2 , showing that layer-entangled electronic states can deviate from standard classifications of interacting systems. This finding opens up possibilities for materials design in a subtle Mott-critical regime. Manipulated Hidden-Mott physics, correlation-induced semimetallicity, or Dirac/flat-band dispersions in a Mott background are emerging features. Together with achievements in the experimental preparation, this inaugurates an exciting research field in the arena of correlated materials.