Ab initio quantum many-body description of superconducting trends in the cuprates

Zhi-Hao Cui (), Junjie Yang, Johannes Tölle, Hong-Zhou Ye, Shunyue Yuan, Huanchen Zhai, Gunhee Park, Raehyun Kim, Xing Zhang, Lin Lin, Timothy C. Berkelbach and Garnet Kin-Lic Chan ()
Additional contact information
Zhi-Hao Cui: California Institute of Technology
Junjie Yang: California Institute of Technology
Johannes Tölle: California Institute of Technology
Hong-Zhou Ye: Columbia University
Shunyue Yuan: California Institute of Technology
Huanchen Zhai: California Institute of Technology
Gunhee Park: California Institute of Technology
Raehyun Kim: University of California
Xing Zhang: California Institute of Technology
Lin Lin: University of California
Timothy C. Berkelbach: Columbia University
Garnet Kin-Lic Chan: California Institute of Technology

Nature Communications, 2025, vol. 16, issue 1, 1-10

Abstract: Abstract Using a systematic ab initio quantum many-body approach that goes beyond low-energy models, we directly compute the superconducting pairing order and estimate the pairing gap of several doped cuprate materials and structures within a purely electronic picture. We find that we can correctly capture two well-known trends: the pressure effect, where the pairing order and gap increase with intra-layer pressure, and the layer effect, where the pairing order and gap vary with the number of copper-oxygen layers. From these calculations, we observe that the strength of superexchange and the covalency at optimal doping are the best descriptors for these trends. Our microscopic analysis further identifies that strong short-range spin fluctuations and multi-orbital charge fluctuations drive the development of the pairing order. Our work illustrates the possibility of a material-specific ab initio understanding of unconventional high-temperature superconducting materials.

Date: 2025
References: View references in EconPapers View complete reference list from CitEc
Citations:

Downloads: (external link)
https://www.nature.com/articles/s41467-025-56883-x Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-56883-x

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-025-56883-x

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().