Infinite-layer nickelates as Ni-eg Hund’s metals

Abstract The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1− δ Sr NiO 2 draws strong attention to correlated quantum materials. From a theoretical view point, this class unconventional superconducting materials provides an opportunity unveil physics hidden Here we study temperature doping dependence local spectrum as well charge, spin orbital susceptibilities from first principles. By using ab initio LQSGW+DMFT methodology, show that onsite Hund’s coupling Ni- d orbitals gives rise multiple signatures metallic phase e g orbitals. proposed picture nickelates (two orbital) metal differs Fe-based superconductors five cuprates doped charge transfer insulators. Our finding uncover new metals has potential implications for broad range two systems away half-filling.