Signatures of topotactic hydrogen in nickelate superconductors

Liang Si; Paul Worm; Karsten Held

doi:10.3390/cryst12050656

Signatures of topotactic hydrogen in nickelate superconductors

Superconductivity 2022-08-29 v1 Materials Science Strongly Correlated Electrons

Authors: Liang Si , Paul Worm , Karsten Held

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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.

Keywords

nickelate superconductors topotactic hydrogen density-functional theory phonon mode oxygen reduction charge redistribution

Cite

@article{arxiv.2204.10657,
  title  = {Signatures of topotactic hydrogen in nickelate superconductors},
  author = {Liang Si and Paul Worm and Karsten Held},
  journal= {arXiv preprint arXiv:2204.10657},
  year   = {2022}
}

Comments

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

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