Title: Potential Lifshitz transition at optimal substitution in nematic pnictide Ba1xSrxNi2As2

Journal Article · · Science Advances
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3];  [3];  [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [2]
  1. University of Colorado, Boulder, CO (United States); SLAC
  2. University of Colorado, Boulder, CO (United States)
  3. University of Maryland, College Park, MD (United States)
  4. SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
  5. University of Minnesota, Minneapolis, MN (United States)
  6. University of Maryland, College Park, MD (United States); Canadian Institute for Advanced Research, Toronto (Canada)

BaNi2As2 is a structural analog of the pnictide superconductor BaFe2As2, 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 (Tc). To understand the mechanisms responsible for enhancement of Tc, we present high-resolution angle-resolved photoemission spectroscopy (ARPES) measurements of the Ba1-xSrxNi2As2 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 Tc is maximum. These nested pockets host Ni dxz/dyz 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 Tc.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); University of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
Gordon and Betty Moore Foundation; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
AC02-05CH11231; AC02-76SF00515; FG02-03ER46066; SC0020045
OSTI ID:
2281585
Journal Information:
Science Advances, Journal Name: Science Advances Journal Issue: 42 Vol. 9; ISSN 2375-2548
Publisher:
AAASCopyright Statement
Country of Publication:
United States
Language:
English

References (44)

Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique journal April 2020
PyProcar: A Python library for electronic structure pre/post-processing journal June 2020
Sign-reversal of the in-plane resistivity anisotropy in hole-doped iron pnictides journal May 2013
Evidence for a Lifshitz transition in electron-doped iron arsenic superconductors at the onset of superconductivity journal May 2010
What drives nematic order in iron-based superconductors? journal January 2014
Direct observation of spin–orbit coupling in iron-based superconductors journal December 2015
An electronic nematic liquid in BaNi2As2 journal August 2022
Role of the orbital degree of freedom in iron-based superconductors journal October 2017
Sixfold enhancement of superconductivity in a tunable electronic nematic system journal December 2019
Nematicity and nematic fluctuations in iron-based superconductors journal December 2022
Iron pnictides and chalcogenides: a new paradigm for superconductivity journal January 2022
Effect of nematic ordering on electronic structure of FeSe journal November 2016
Superconductivity and non-Fermi liquid behavior near a nematic quantum critical point journal April 2017
The first order phase transition and superconductivity in BaNi 2 As 2 single crystals journal August 2008
Rotational symmetry breaking at the incommensurate charge-density-wave transition in Ba ( Ni , Co ) 2 ( As , P ) 2 : Possible nematic phase induced by charge/orbital fluctuations journal November 2021
Charge density wave transitions, soft phonon, and possible electronic nematicity in BaNi2(As1−xPx)2 journal October 2022
Spectral evidence for unidirectional charge density wave in detwinned BaNi2As2 journal August 2023
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Theory of electron nematic order in LaFeAsO journal June 2008
Ising and spin orders in the iron-based superconductors journal July 2008
Density functional study of BaNi 2 As 2 : Electronic structure, phonons, and electron-phonon superconductivity journal October 2008
Electronic structure of BaNi 2 As 2 journal January 2011
Preemptive nematic order, pseudogap, and orbital order in the iron pnictides journal January 2012
Cooper pairing in non-Fermi liquids journal March 2015
Spin-orbital interplay and topology in the nematic phase of iron pnictides journal June 2015
Spin-driven nematic instability of the multiorbital Hubbard model: Application to iron-based superconductors journal February 2016
Superconductivity near a nematic quantum critical point: Interplay between hot and lukewarm regions journal December 2018
Giant Phonon Softening and Enhancement of Superconductivity by Phosphorus Doping of BaNi 2 As 2 journal August 2012
Scaling between Magnetic and Lattice Fluctuations in Iron Pnictide Superconductors journal September 2013
Selective Mott Physics as a Key to Iron Superconductors journal April 2014
Critical Doping for the Onset of a Two-Band Superconducting Ground State in SrTiO 3 − δ journal May 2014
Enhancement of Superconductivity near a Nematic Quantum Critical Point journal March 2015
Superconductivity in FeSe Thin Films Driven by the Interplay between Nematic Fluctuations and Spin-Orbit Coupling journal November 2016
Interplay between Magnetism, Superconductivity, and Orbital Order in 5-Pocket Model for Iron-Based Superconductors: Parquet Renormalization Group Study journal January 2017
Unconventional Multiband Superconductivity in Bulk SrTiO 3 and LaAlO 3 / SrTiO 3 Interfaces journal September 2018
Unconventional Charge Density Wave Order in the Pnictide Superconductor Ba ( Ni 1 − x Co x ) 2 As 2 journal April 2019
Multiple Charge Density Waves and Superconductivity Nucleation at Antiphase Domain Walls in the Nematic Pnictide Ba 1 − x Sr x Ni 2 As 2 journal July 2021
Soft-Phonon and Charge-Density-Wave Formation in Nematic BaNi2As2 journal December 2022
Ising transition in frustrated Heisenberg models journal January 1990
Tests of nematic-mediated superconductivity applied to Ba 1 − x Sr x Ni 2 As 2 journal May 2020
Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning journal May 2021
Nematic Fermi Fluids in Condensed Matter Physics journal August 2010
Electronic Nematic States Tuned by Isoelectronic Substitution in Bulk FeSe1−xSx journal March 2021