Electronic structure of higher-order Ruddlesden-Popper nickelates

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

doi:10.1103/PhysRevB.105.085150

paper

Electronic structure of higher-order Ruddlesden-Popper nickelates

arXiv:2203.02681 · doi:10.1103/PhysRevB.105.085150

Abstract

We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases La $_{n + 1}$ Ni $_{n}$ O $_{3 n + 1}$ ( $n = 4 - 6$ ) using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with $d_{x^{2} - y^{2}}$ character that closely resemble those of optimally hole-doped cuprates. For higher values of $n$ , extra non-cuprate-like bands of $d_{z^{2}}$ 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.

12 pages, 11 figures

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Cited by in corpus (13)

Theoretical analysis on the possibility of superconductivity in a trilayer Ruddlesden-Popper nickelate La $_{4}$ Ni $_{3}$ O $_{10}$ under pressure and its experimental examination: comparison with La $_{3}$ Ni $_{2}$ O $_{7}$
Polymorphism in Ruddlesden-Popper $L a_{3} N i_{2} O_{7}$ : Discovery of a Hidden Phase with Distinctive Layer Stacking
Multiband Metallic Ground State in Multilayered Nickelates La $_{3}$ Ni $_{2}$ O $_{7}$ and La $_{4}$ Ni $_{3}$ O $_{10}$ Probed by $^{139}$ La-NMR at Ambient Pressure
Trilayer multi-orbital models of $L a_{4} N i_{3} O_{10}$
Electronic structure and magnetic tendencies of trilayer La $_{4}$ Ni $_{3}$ O $_{10}$ under pressure: structural transition, molecular orbitals, and layer differentiation
Electronic structure and magnetic correlations in trilayer nickelate superconductor La $_{4}$ Ni $_{3}$ O $_{10}$ under pressure
High-pressure crystal growth and investigation of the metal-to-metal transition of Ruddlesden-Popper trilayer nickelates La $_{4}$ Ni $_{3}$ O $_{10}$
Electronic structure of Ruddlesden-Popper nickelates: strain to mimic the effects pressure
Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La $_{3}$ Ni $_{2}$ O $_{7}$ polymorph
Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La $_{5}$ Ni $_{3}$ O $_{11}$ Under Pressure
General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$ -layered superconductors La $_{m + 1}$ Ni $_{m}$ O $_{3 m + 1}$
Magnetic excitations in Nd $_{n + 1}$ Ni $_{n}$ O $_{3 n + 1}$ Ruddlesden-Popper nickelates observed via resonant inelastic x-ray scattering
Electronic layer decoupling driven by density-wave order in La $_{4}$ Ni $_{3}$ O $_{10}$