Fingerprints of Topotactic Hydrogen in Nickelate Superconductors
Liang Si, Paul Worm, Karsten Held
Abstract
Superconductivity has entered the nickel age marked by enormous experimental and theoretical efforts. Notwithstanding, synthesizing nickelate superconductors remains extremely challenging, not least due to incomplete oxygen reduction and topotactic hydrogen. Here, we present density-functional theory calculations for nickelate superconductors with additional topotactic hydrogen or oxygen, namely La1−xSrxNiO2Hδ and LaNiO2+δ. We identify a phonon mode as a possible indication for topotactic hydrogen and discuss the charge redistribution patterns around oxygen and hydrogen impurities.
Topics & Concepts
SuperconductivityHydrogenMaterials scienceChemistryCondensed matter physicsPhysicsOrganic chemistryPhysics of Superconductivity and MagnetismIron-based superconductors researchAdvanced Condensed Matter Physics