General trends of superconducting pairing and magnetic correlations in the Ruddlesden-Popper nickelate -layered superconductors
Phys. Rev. B 112, 094517 – Published 23 September, 2025
DOI: https://doi.org/10.1103/h9kq-chh7
Abstract
We report a comprehensive theoretical analysis of the Ruddlesden-Popper layered nickelates ( to 6) under pressure. These materials have recently received significant attention due to the discovery of superconductivity in some nickelates under pressure. Our results suggest that, while these Ruddlesden-Popper layered nickelates display many similarities, they also show noticeable differences. One of the common features of is that the electronic states near the Fermi level are mainly contributed by Ni orbitals, slightly hybridized with O orbitals. The Ni orbitals display bonding-antibonding, or bonding-antibonding-nonbonding, characteristic splittings, depending on the even or odd number of stacking layers . In addition, the ratio of the in-plane interorbital hopping between and orbitals and in-plane intraorbital hopping between orbitals was found to be large in ( to 6), and this ratio increases from to , suggesting that the in-plane hybridization will increase as the layer number increases. In contrast to the dominant -wave state driven by spin fluctuations in the bilayer and trilayer , two nearly degenerate -wave and -wave leading states were obtained in the four-layer stacking and five-layer stacking . The leading -wave state was recovered in the six-layer material with slightly higher calculated pairing strength than that of the -wave state. All this evidence suggests that both -wave and -wave channels are strongly competing in the high-order niceklates based on our random-phase approximation calculations. In general, at the level of the random-phase approximation treatment, the superconducting transition temperature decreases in stoichiometric bulk systems from the bilayer to the six-layer , despite the -dependent dominant pairing. Both in-plane and out-of-plane magnetic correlations are found to be quite complex. Within the in-plane direction, we obtained the peak of the magnetic susceptibility at for () and () and at for (). Along the out-of-plane direction, four layers are coupled as in , five layers are coupled as in , and six layers are coupled as in .