Electronic structure of higher-order Ruddlesden-Popper nickelates
Myung-Chul Jung,
Jesse Kapeghian,
Chase Hanson
et al.
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 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 elect… Show more
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