Atomic scale disorder and reconstruction in bulk infinite-layer nickelates lacking superconductivity.

The recent discovery of superconductivity in infinite-layer nickelate films has sparked significant interest and expanded the realm of superconductors, in which the infinite-layer structure and proper chemical doping are both of the essence. Nonetheless, the reasons for the absence of superconductivity in bulk infinite-layer nickelates remain puzzling. Herein, we investigate atomic defects and electronic structures in bulk infinite-layer Nd 0.8 Sr 0.2 NiO 2 using scanning transmission electron microscopy. Our observations reveal the presence of three-dimensional (3D) block-like structural domains resulting from intersecting defect structures, disrupting the continuity within crystal grains, which could be a crucial factor in giving rise to the insulating character and inhibiting the emergence of superconductivity. Moreover, the infinite-layer structure, without complete topotactic reduction, retains interstitial oxygen atoms on the Nd atomic plane in bulk nickelates, possibly further aggravating the local distortions of NiO 2 planes and hindering the superconductivity. These findings shed light on the existence of structural and atomic defects in bulk nickelates and provide valuable insights into the influence of proper topotactic reduction and structural orders on superconductivity.