Microscopic mechanism of high-temperature superconductivity revealed by ab initio studies on hole-doped multilayer cuprates HgBa$_2$Ca$_2$Cu$_3$O$_8$ under pressure

[2606.08181] Microscopic mechanism of high-temperature superconductivity revealed by ab initio studies on hole-doped multilayer cuprates HgBa$_2$Ca$_2$Cu$_3$O$_8$ under pressure Skip to main content Search Submit Donate Log in Condensed Matter > Superconductivity arXiv:2606.08181 (cond-mat) [Submitted on 6 Jun 2026 ( v1 ), last revised 22 Aug 2026 (this version, v2)] Title: Microscopic mechanism of high-temperature superconductivity revealed by ab initio studies on hole-doped multilayer cuprates HgBa$_2$Ca$_2$Cu$_3$O$_8$ under pressure Authors: Ryui Kaneko , Masatoshi Imada View PDF HTML (experimental) Abstract: Triple-layer cuprate superconductor $\mathrm{HgBa_2Ca_2Cu_3O_8}$ (Hg1223) keeps the record of the highest superconducting (SC) critical temperature $T_{c}\sim 134$K among all the existing materials at ambient pressure. $T_{c}$ further increases under pressure up to $T_{c}\sim 160$K. However, its microscopic mechanism remains to be elucidated. We solve {\it ab initio} Hamiltonians for Hg1223 using a variational solver supplemented by a neural network. The pressure dependence of the $d$-wave SC order parameter and estimated $T_{c}$ show a $T_{\mathrm{c}}$ peak around 30GPa in quantitative agreement with the experiments. The origin of the strong SC amplitude at ambient pressure is identified as strong local Coulomb repulsion $U$ attributed to poor screening. Further increase in $T_{c}$ under pressure is understood from interplay of three elements, namely increased electron hopping $t$, decreased $U$ and more importantly, strongly reduced offsite Coulomb repulsion $V$ with increasing pressure. Pairing mechanism is identified as the emergent local attraction counterintuitively generated from the originally strong local repulsion $U$. The emergent attraction is interpreted from ``attraction from reduced repulsion'', originating from the release of the fluctuating doubly-occupied sites characterized from the ``false vacuum'' in the Mott insulator to the double-occupation-free $d$-wave SC states upon carrier doping. This instantaneous attraction is in contrast with the conventional BCS SC mediated by bosonic glues. The local attraction is consistent with the electron fractionalization supported in experimental analyses. The coexistence of the SC and antiferromagnetic order is also demonstrated as a characteristic feature of the multilayer system. The microscopic understanding of Hg1223 offers a new route explicitly using this emergent attraction to design and optimize SC materials. Comments: 23 pages, 28 figures Subjects: Superconductivity (cond-mat.supr-con) ; Strongly Correlated Electrons (cond-mat.str-el) Cite as: arXiv:2606.08181 [cond-mat.supr-con] (or arXiv:2606.08181v2 [cond-mat.supr-con] for this version) https://doi.org/10.48550/arXiv.2606.08181 Focus to learn more arXiv-issued DOI via DataCite Journal reference: Phys. Rev. Research 8, 043024 (2026) Related DOI : https://doi.org/10.1103/qqvw-ltth Focus to learn more DOI(s) linking to related resources Submission history From: Masatoshi Imada [ view email ] [v1] Sat, 6 Jun 2026 13:59:19 UTC (2,011 KB) [v2] Sat, 22 Aug 2026 16:26:25 UTC (1,994 KB) Full-text links: Access Paper: View PDF HTML (experimental) TeX Source view license Current browse context: cond-mat.supr-con < prev | next > new | recent | 2026-06 Change to browse by: cond-mat cond-mat.str-el References & Citations SciX Google Scholar Semantic Scholar export BibTeX citation Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer ( What is the Explorer? ) Connected Papers Toggle Connected Papers ( What is Connected Papers? ) Litmaps Toggle Litmaps ( What is Litmaps? ) scite.ai Toggle scite Smart Citations ( What are Smart Citations? ) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv ( What is alphaXiv? ) Links to Code Toggle CatalyzeX Code Finder for Papers ( What is CatalyzeX? ) DagsHub Toggle DagsHub ( What is DagsHub? ) GotitPub Toggle Gotit.pub ( What is GotitPub? ) Huggingface Toggle Hugging Face ( What is Huggingface? ) ScienceCast Toggle ScienceCast ( What is ScienceCast? ) Demos Demos Replicate Toggle Replicate ( What is Replicate? ) Spaces Toggle Hugging Face Spaces ( What is Spaces? ) Spaces Toggle TXYZ.AI ( What is TXYZ.AI? ) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower ( What are Influence Flowers? ) Core recommender toggle CORE Recommender ( What is CORE? ) IArxiv recommender toggle IArxiv Recommender ( What is IArxiv? ) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. 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