Electronic structure of higher-order Ruddlesden-Popper nickelates

Myung Chul Jung, Jesse Kapeghian, Chase Hanson, Betül Pamuk, Antia S. Botana

Research output: Contribution to journalArticlepeer-review

Abstract

We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases Lan+1NinO3n+1 (n=4-6) using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with dx2-y2 character that closely resemble those of optimally hole-doped cuprates. For higher values of n, extra non-cuprate-like bands of dz2 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.

Original languageEnglish (US)
Article number085150
JournalPhysical Review B
Volume105
Issue number8
DOIs
StatePublished - Feb 15 2022

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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