Signatures of topotactic hydrogen in nickelate superconductors

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, identify a phonon mode as a possible indication for topotactic hydrogen and discuss the charge redistribution patterns around oxygen and hydrogen impurities.

arXiv commentPaper solicited for the special issue 'New Spin on Metal-Insulator Transitions' of Crystals

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Cited by in corpus (6)

• Optimizing superconductivity: from cuprates via nickelates to palladates
• Limits to the strain engineering of layered square-planar nickelate thin films
• Synthesis and physical properties of LaNiO${}_2$ crystals
• Topotactic-hydrogen forms chains in $AB$O${}_2$ nickelate superconductors
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• Surfaces and interfaces of infinite-layer nickelates studied by dynamical mean-field theory