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Absence of electron-phonon-mediated superconductivity in hydrogen-intercalated nickelates

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arxiv 2304.03599 v1 pith:UJCIHLIV submitted 2023-04-07 cond-mat.supr-con cond-mat.str-el

classification cond-mat.supr-concond-mat.str-el
keywords superconductivityhydrogennickelateshydrogen-intercalatedreportedsuperconductorsabsencecalculations
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abstract

A recent experiment [X. Ding et al., Nature 615, 50 (2023)] indicates that superconductivity in nickelates is restricted to a narrow window of hydrogen concentration: 0.22 < x < 0.28 in Nd$_{0.8}$Sr$_{0.2}$NiO$_{2}$H$_{x}$. This reported necessity of hydrogen suggests that it plays a crucial role for superconductivity, as it does in the vast field of hydride superconductors. Using density-functional theory and its extensions, we explore the effect of topotactic hydrogen on the electronic structure and phonon-mediated superconductivity in nickelate superconductors. Our calculations show that the electron-phonon coupling in hydrogen-intercalated nickelates is not strong enough to drive the electron pairing, and thus cannot explain the reported superconductivity.

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  1. Pressure and strain effects on the $\textit{ab initio}$ $GW$ electronic structure of La$_3$Ni$_2$O$_7$

    cond-mat.supr-con 2025-04 conditional novelty 6.0 of 10

    A one-shot GW calculation predicts that correlations remove the gamma hole pocket of La3Ni2O7 and that the La-5d x2-y2 band approaches the Fermi level under pressure and strain, matching ARPES without a Hubbard U.

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