Theoretical design of highly correlated electron states in delafossite heterostructures
arXiv:1909.08456 · doi:10.1103/PhysRevResearch.2.013352
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 and insulating AgCrO. 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.
arXiv comment8 pages, 8 figures
References in corpus (20)
- A continuous-time solver for quantum impurity models
- Continuous Time Quantum Monte Carlo method for fermions
- TRIQS: A Toolbox for Research on Interacting Quantum Systems
- Mott transition and suppression of orbital fluctuations in orthorhombic 3 perovskites
- Spin-driven ferroelectricity and possible antiferroelectricity in triangular lattice antiferromagnets ACrO2 (A = Cu, Ag, Li, or Na)
- Full orbital calculation scheme for materials with strongly correlated electrons
- TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
- Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
- The properties of ultrapure delafossite metals
- Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
- Direct Observation of a Uniaxial Stress-driven Lifshitz Transition in SrRuO
- Critical behavior of the metallic triangular-lattice Heisenberg antiferromagnet PdCrO2
- In-situ strain-tuning of the metal-insulator-transition of CaRuO in angle-resolved photoemission experiments
- Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
- Unconventional aspects of electronic transport in delafossite oxides
- Itinerant ferromagnetism of the Pd-terminated polar surface of PdCoO
- A key role of correlation effects in the Lifshitz transition in SrRuO
- Growth of metallic delafossite PdCoO2 by molecular beam epitaxy
- Electronic Structure of the Metallic Antiferromagnet PdCrO Measured by Angle-Resolved Photoemission Spectroscopy
- Hidden Mott insulator in metallic PdCrO