Electride-like properties of infinite-layer nickelates
arXiv (Cornell University)(2022)
Abstract
Oxide based electrides are materials in which topotactic removal of loosely bound oxygens leaves behind voids with a landscape of attractive potentials for electrons. We find that this is also what happens in the recently discovered infinite-layer nickelates where one of the two extra electrons needed for charge neutrality when the apical oxygen is removed from the cubic perovskite precursor compound is to a large degree located in the oxygen vacancy position rather than both mainly used to convert Ni from 3+ to 1+. This is shown to be the main reason for the theoretical difficulty in determining the much debated elusive Fermi surface of these novel superconductors.
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Key words
electride-like,infinite-layer
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