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Superconductivity is one of the most intriguing properties of matterdescribed by an attractive interaction that bounds electrons into Cooper pairs.To date, the highest critical temperature at ambient conditions is achieved incopper oxides. While layered nickel oxides were long proposed to be analogousto cuprates, superconductivity was only demonstrated in 2019 albeit withoutclarifying the pairing mechanism. Here we use Density Functional Theory (DFT)to show that superconductivity in nickelates is driven by an electron-phononcoupling originating from a charge ordering. Due to an intrinsic electronicinstability in half-doped compounds, Ni$^{1.5+}$ cations dismutate into morestable Ni$^+$ and Ni$^{2+}$ cations, which is accompanied by a bonddisproportionation of NiO$_4$ complexes producing an insulating charge orderedstate. Once doping suppresses the instability, the bond disproportionationvibration is sufficient to reproduce the key characteristic of nickelatesobserved experimentally, notably the dome of T$_c$ as a function of dopingcontent. These phenomena are identified if relevant degrees of freedom as wellas an exchange correlation functional that sufficiently amends self-interactionerrors are involved in the simulations. Finally, despite the presence ofcorrelation effects inherent to $3d$ elements, nickelates superconductorsappear similar to non-magnetic bismuth oxide superconductors.

Charge ordering as the driving mechanism for superconductivity in rare-earth nickel oxides