Electronic structure of higher-order Ruddlesden-Popper nickelates

2022/02/28 by Myung-Chul Jung, Myung‐Chul Jung, Jesse Kapeghian +4 · 1 citation
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Condensed matter physics #Economics #Magnetic and transport properties of perovskites and related materials #Magnetic properties of thin films #Materials science #Order (exchange) #Physics #cond-mat.mtrl-sci #cond-mat.str-el #nanoparticles nucleation surface interactions

paper · pdf · doi:10.1103/physrevb.105.085150

published as Phys. Rev. B 105, 085150 (2022) · 12 pages, 11 figures

openalex publication_date 2022/02/28 · arxiv created 2022/03/05 · arxiv updated 2022/03/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06

Abstract

We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases La_n+1Ni_nO_3n+1 (n=4-6) using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with d_x²-y² character that closely resemble those of optimally hole-doped cuprates. For higher values of n, extra non-cuprate-like bands of d_z² orbital character appear. These aspects highlight that this Ruddlesden-Popper series can provide a means to modify the electronic ground states of nickelates by tuning their dimensionality. With their similarities and differences to the cuprates, this new family of materials can potentially shed light on the physics of copper-based oxides.

Citations

• Generalized Gradient Approximation Made Simple
• WIEN2k: An APW+lo program for calculating the properties of solids
• Core-level x-ray photoemission and Raman spectroscopy studies on electronic structures in Mott-Hubbard type nickelate oxide NdNiO₂

Cited by

• General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate m-layered superconductors La_m+1Ni_mO_3m+1