Theoretical design of highly correlated electron states in delafossite heterostructures

TL;DR

This paper uses advanced theoretical methods to predict highly correlated electron states in delafossite heterostructures, revealing potential for discovering new quantum materials with complex electronic behaviors.

Contribution

It introduces a novel theoretical approach combining density functional theory and dynamical mean-field theory to predict correlated states in delafossite heterostructures.

Findings

Prediction of correlation-induced semimetals at room temperature

Identification of doped Mott-insulators at lower temperatures

Highlighting the potential for novel quantum matter research

Abstract

Delafossites represent natural heterostructures which can host rather different electronic characteristics in their constituting layers. The design of novel heterostructure architectures highlighting the competition between such varying layer properties is promising from the viewpoint of basic research as well as for future technological applications. By means of the combination of density functional theory and dynamical mean-field theory, we here unveil the formation of highly correlated electron states in delafossite heterostructures build from metallic PdCrO$_2$ and insulating AgCrO$_2$. Due to the sophisticated coupling between layers of strong and of weak internal electron-electron interaction, correlation-induced semimetals at ambient temperature and doped Mott-insulators at lower temperature are predicted. The unique electronic structure of delafossite heterostructures opens a door to research on novel challenging quantum matter.