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...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.展开更多
In this work,we investigate collective electronic fluctuations and,in particular,the possibility of the charge density wave ordering in an infinite-layer NdNiO_(2).We perform advanced many-body calculations for the ab...In this work,we investigate collective electronic fluctuations and,in particular,the possibility of the charge density wave ordering in an infinite-layer NdNiO_(2).We perform advanced many-body calculations for the ab-initio three-orbital model by taking into account local correlation effects,nonlocal charge and magnetic fluctuations,and the electron-phonon coupling.We find that in the considered material,electronic correlations are strongly orbital-and momentum-dependent.Notably,the charge density wave and magnetic instabilities originate from distinct orbitals.展开更多
基金We are indebted to H.O.Jeschke,P.D.C.King,I.Krivenko,A.P.Mackenzie,L.Pourovskii,R.Richter,A.W.Rost,V.Sunko,and P.Wahl for helpful discussions on various facets of delafossites as well as on computational aspects.Financial support from the DFG LE-2446/4-1 project“Design of strongly correlated materials”and the Psi-k network is acknowledged.Computations were performed at the JUWELS Cluster of the Jülich Supercomputing Centre(JSC)under project number hhh08.
文摘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.
基金the support by the DFG through FOR 5249-449872909(Project P8)and by the European Research Council via Synergy Grant 854843-FASTCORR.
文摘In this work,we investigate collective electronic fluctuations and,in particular,the possibility of the charge density wave ordering in an infinite-layer NdNiO_(2).We perform advanced many-body calculations for the ab-initio three-orbital model by taking into account local correlation effects,nonlocal charge and magnetic fluctuations,and the electron-phonon coupling.We find that in the considered material,electronic correlations are strongly orbital-and momentum-dependent.Notably,the charge density wave and magnetic instabilities originate from distinct orbitals.
