Microscopic Theory of Superconducting Phase Diagram in Infinite-Layer Nickelates

Abstract

Since the discovery of superconductivity in infinite-layer nickelates RNiO${}_2$ (R=La, Pr, Nd), great research efforts have been paid to unveil its underlying superconducting mechanism. However, the physical origin of the intriguing hole-doped superconductivity phase diagram, characterized by a superconductivity dome sandwiched between two weak insulators, is still unclear. Here, we present a microscopic theory for electronic structure of nickelates from a fundamental model-based perspective. We found that the appearance of weak insulator phase in lightly and heavily hole-doped regime is dominated by Mottness and Hundness, respectively, exhibiting a unique orbital-selective doping originated from the competition of Hund interaction and crystal field splitting. Moreover, the superconducting phase can also be created in the "mixed" transition regime between Mott-insulator and Hund-induced insulator, exactly reproducing the experimentally observed superconducting phase diagram. Our findings not only demonstrate the orbital-dependent strong-correlation physics in Ni 3$d$ states, but also provide a unified understanding of superconducting phase diagram in hole-doped infinite-layer nickelates, which are distinct from the well-established paradigms in cuprates and iron pnictides.

arXiv comment17 pages, 11 figures, 4 Tables; comments are welcome

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• $\text{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates
• Topotactical Hydrogen Induced Single-Band $d$-wave Superconductivity in La${}_2$NiO${}_4$
• Low-energy interband Kondo bound states in orbital-selective Mott phases
• Intrinsic coherence length anisotropy in nickelate, and some pnictide, and chalcogenide superconductors
• Orbital-selective spin-triplet superconductivity in infinite-layer LaNiO${}_2$
• Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates