Login / Signup

Potential Lifshitz transition at optimal substitution in nematic pnictide Ba 1- x Sr x Ni 2 As 2 .

Dushyant M NarayanPeipei HaoRafał KurletoBryan S BerggrenA Garrison LinnChristopher EckbergPrathum SarafJohn ColliniPeter Y ZavalijMakoto HashimotoDong-Hui LuRafael M FernandesJohnpierre PaglioneDaniel S Dessau
Published in: Science advances (2023)
BaNi 2 As 2 is a structural analog of the pnictide superconductor BaFe 2 As 2 , which, like the iron-based superconductors, hosts a variety of ordered phases including charge density waves (CDWs), electronic nematicity, and superconductivity. Upon isovalent Sr substitution on the Ba site, the charge and nematic orders are suppressed, followed by a sixfold enhancement of the superconducting transition temperature ( T c ). To understand the mechanisms responsible for enhancement of T c , we present high-resolution angle-resolved photoemission spectroscopy (ARPES) measurements of the Ba 1- x Sr x Ni 2 As 2 series, which agree well with our density functional theory (DFT) calculations throughout the substitution range. Analysis of our ARPES-validated DFT results indicates a Lifshitz transition and reasonably nested electron and hole Fermi pockets near optimal substitution where T c is maximum. These nested pockets host Ni d xz /d yz orbital compositions, which we associate with the enhancement of nematic fluctuations, revealing unexpected connections to the iron-pnictide superconductors. This gives credence to a scenario in which nematic fluctuations drive an enhanced T c .
Keyphrases
  • density functional theory
  • high resolution
  • molecular dynamics
  • solar cells
  • transition metal
  • iron deficiency
  • mass spectrometry
  • risk assessment
  • climate change
  • molecular docking
  • perovskite solar cells