Electronic Structure of Ruddlesden-Popper Palladates from First-Principles Calculations

Recently, superconductivity under pressure has been discovered in bilayer and trilayer Ruddlesden Popper nickelates [1-2]. These two materials belong to a larger family of compounds whose general chemical formula is Rn+1 Nin O 3n +1 (R = La, Pr, Nd, n= number of Ni-O perovskite planes along c). Motivated by this series of discoveries, we use first-principles calculations to construct the equivalent palladate RP series and compare it to the nickelate analogs both structurally and electronically.

[1] Nature 621, 493 (2023)

[2] Nature 631, 531 (2024)