General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$-layered superconductors La$_{m+1}$Ni$_{m}$O$_{3m+1}$

Yang Zhang; Ling-Fang Lin; Adriana Moreo; Satoshi Okamoto; Thomas A. Maier; Elbio Dagotto

doi:10.1103/h9kq-chh7

paper

General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$ -layered superconductors La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$

arXiv:2504.14327 · doi:10.1103/h9kq-chh7

Abstract

We report a comprehensive theoretical analysis of the Ruddlesden-Popper layered nickelates La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$ ( $m = 1$ to 6) under pressure. Our results suggest that, while these Ruddlesden-Popper layered nickelates display many similarities, they also show noticeable differences. The Ni $d_{3 z^{2} - r^{2}}$ orbitals display bonding-antibonding, or bonding-antibonding-nonbonding, characteristic splittings, depending on the even or odd number of stacking layers $m$ . In addition, the ratio of the in-plane interorbital hopping between $d_{3 z^{2} - r^{2}}$ and $d_{x^{2} - y^{2}}$ orbitals and in-plane intraorbital hopping between $d_{x^{2} - y^{2}}$ orbitals was found to be large in La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$ ( $m = 1$ to 6), and this ratio increases from $m = 1$ to $m = 6$ , suggesting that the in-plane hybridization will increase as the layer number $m$ increases. In contrast to the dominant $s^{\pm}$ --wave state driven by spin fluctuations in the bilayer La $_{3}$ Ni $_{2}$ O $_{7}$ and trilayer La $_{4}$ Ni $_{3}$ O $_{10}$ , two nearly degenerate $d_{x^{2} - y^{2}}$ -wave and $s^{\pm}$ -wave leading states were obtained in the four-layer stacking La $_{5}$ Ni $_{4}$ O $_{13}$ and five-layer stacking La $_{6}$ Ni $_{5}$ O $_{16}$ . The leading $s^{\pm}$ -wave state was recovered in the six-layer material La $_{7}$ Ni $_{6}$ O $_{19}$ . In general, at the level of the random phase approximation treatment, the superconducting transition temperature $T_{c}$ decreases in stoichiometric bulk systems from the bilayer La $_{3}$ Ni $_{2}$ O $_{7}$ to the six-layer La $_{7}$ Ni $_{6}$ O $_{19}$ , despite the $m$ 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 $q = (0.6 π, 0.6 π)$ for La $_{5}$ Ni $_{4}$ O $_{13}$ and La $_{7}$ Ni $_{6}$ O $_{19}$ , and at $q = (0.7 π, 0.7 π)$ for La $_{6}$ Ni $_{5}$ O $_{16}$ .

General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$ -layered superconductors La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$

Abstract

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General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate m-layered superconductors Lam+1​Nim​O3m+1​

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General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$ -layered superconductors La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$