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research article

Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling

Fan, Zhen
•
zhang, jian-feng
•
Zhan, Bo
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July 24, 2024
Physical Review B

The discovery of superconductivity at 80 K under high pressure in La3Ni2O7 3 Ni 2 O 7 presents the groundbreaking confirmation that high-Tc T c superconductivity is a property of strongly correlated materials beyond cuprates. We use density functional theory calculations of the band structure of La3Ni2O7 3 Ni 2 O 7 under pressure to verify that the low-energy bands are composed almost exclusively of Ni 3dx2-y2 d x 2 - y 2 and O 2p p orbitals. We deduce that the Ni 3dz2 d z 2 orbitals are essentially decoupled by the geometry of the high-pressure structure and by the effect of the Ni Hund coupling being strongly suppressed, which results from the enhanced interlayer antiferromagnetic interaction between 3dz2 d z 2 orbitals and the strong intralayer hybridization of the 3dx2-y2 d x 2 - y 2 orbitals with O 2p. p . By introducing a tight-binding model for the Fermi surfaces and low-energy dispersions, we arrive at a bilayer t- t perpendicular to- J model with strong interlayer hopping, which we show is a framework unifying La3Ni2O7 3 Ni 2 O 7 with cuprate materials possessing similar band structures, particularly the compounds La2CaCu2O6, 2 CaCu 2 O 6 , Pb2Sr2YCu3O8, 2 Sr 2 YCu 3 O 8 , and EuSr2Cu2NbO8. 2 Cu 2 NbO 8 . We use a renormalized mean-field theory to show that these systems should have (d d + is )-wave superconductivity, with a dominant d-wave component and the high Tc c driven by the near-optimally doped 9 band, while the alpha band adds an s-wave component that should lead to clear experimental signatures.

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Type
research article
DOI
10.1103/PhysRevB.110.024514
Web of Science ID

WOS:001275929600003

Author(s)
Fan, Zhen

Chinese Academy of Sciences

zhang, jian-feng

Chinese Academy of Sciences

Zhan, Bo

Chinese Academy of Sciences

lv, dingshun

ByteDance Res

Jiang, Xingyu

Chinese Academy of Sciences

Normand, Bruce  

École Polytechnique Fédérale de Lausanne

Xiang, Tao

Chinese Academy of Sciences

Date Issued

2024-07-24

Publisher

AMER PHYSICAL SOC

Published in
Physical Review B
Volume

110

Issue

2

Article Number

024514

Subjects

TOTAL-ENERGY CALCULATIONS

•

SUPERFLUID RESPONSE

•

ORDER

•

OXIDE

•

Science & Technology

•

Technology

•

Physical Sciences

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LQM  
FunderFunding(s)Grant NumberGrant URL

National Natural Science Foundation of China (NSFC)

11888101

China Postdoctoral Science Foundation

2022M723355

Available on Infoscience
February 1, 2025
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/246299
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