Pairing mechanism and superconductivity in pressurized La5Ni3O11

Pairing mechanism and superconductivity in pressurized La5Ni3O11 | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Pairing mechanism and superconductivity in pressurized La 5 Ni 3 O 11 Fan Yang, Ming Zhang, Cui-Qun Chen, Dao-Xin Yao This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6852646/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted You are reading this latest preprint version Abstract The discovery of superconductivity (SC) with critical temperature T c above the boiling point of liquid nitrogen in pressurized La 3 Ni 2 O 7 has sparked a surge of exploration of high-T c superconductors in the Ruddlesden-Popper (RP) phase nickelates. More recently, the RP phase nicklate La 5 Ni 3 O 11 , which hosts layered structure with alternating bilayer and single-layer NiO 2 planes, is reported to accommodate SC under pressure, exhibiting a dome-shaped pressure dependence with highest T c ≈64 K, capturing a lot of interests. Here, using density functional theory (DFT) and random phase approximation (RPA) calculations, we systematically study the electronic properties and superconducting mechanism of this material. Our DFT calculations yield a band structure including two nearly decoupled sets of sub-band structures, with one set originating from the bilayer subsystem and the other from the single-layer one. RPA-based analysis demonstrates that SC in this material occurs primarily within the bilayer subsystem exhibiting an s± wave pairing symmetry similar to that observed in pressurized La 3 Ni 2 O 7 , while the single-layer subsystem mainly serves as a bridge facilitating the inter-bilayer phase coherence through the interlayer Josephson coupling (IJC). Since the IJC thus attained is extremely weak, it experiences a prominent enhancement under pressure, leading to the increase of the bulk T c with pressure initially. When the pressure is high enough, the T c gradually decreases due to the reduced density of states on the γ-pocket. In this way, the dome-shaped pressure dependence of T c observed experimentally is naturally understood. Physical sciences/Physics/Condensed-matter physics/Superconducting properties and materials Physical sciences/Physics/Condensed-matter physics/Electronic properties and materials Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SI.pdf Supplementary Information for “ Pairing mechanism and superconductivity in pressurized La5Ni3O11” Cite Share Download PDF Status: Under Review Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-6852646","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":472553374,"identity":"c14d576e-28e6-41dc-882d-6f28cb2093bd","order_by":0,"name":"Fan 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superconductivity in pressurized La5Ni3O11”\u003c/p\u003e","description":"","filename":"SI.pdf","url":"https://assets-eu.researchsquare.com/files/rs-6852646/v1/c4f984752815ba86f05f7a02.pdf"}],"financialInterests":"There is \u003cb\u003eNO\u003c/b\u003e Competing Interest.","formattedTitle":"\u003cp\u003ePairing mechanism and superconductivity in pressurized La\u003csub\u003e5\u003c/sub\u003eNi\u003csub\u003e3\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"nature-portfolio","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"","title":"Nature Portfolio","twitterHandle":"","acdcEnabled":false,"dfaEnabled":false,"editorialSystem":"ejp","reportingPortfolio":"","inReviewEnabled":true,"inReviewRevisionsEnabled":false},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-6852646/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-6852646/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"The discovery of superconductivity (SC) with critical temperature T\u003csub\u003ec\u003c/sub\u003e above the boiling point of liquid nitrogen in pressurized La\u003csub\u003e3\u003c/sub\u003eNi\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e7\u003c/sub\u003e has sparked a surge of exploration of high-T\u003csub\u003ec\u003c/sub\u003e superconductors in the Ruddlesden-Popper (RP) phase nickelates. More recently, the RP phase nicklate La\u003csub\u003e5\u003c/sub\u003eNi\u003csub\u003e3\u003c/sub\u003eO\u003csub\u003e11\u003c/sub\u003e, which hosts layered structure with alternating bilayer and single-layer NiO\u003csub\u003e2\u003c/sub\u003e planes, is reported to accommodate SC under pressure, exhibiting a dome-shaped pressure dependence with highest T\u003csub\u003ec\u003c/sub\u003e ≈64 K, capturing a lot of interests. Here, using density functional theory (DFT) and random phase approximation (RPA) calculations, we systematically study the electronic properties and superconducting mechanism of this material. Our DFT calculations yield a band structure including two nearly decoupled sets of sub-band structures, with one set originating from the bilayer subsystem and the other from the single-layer one. RPA-based analysis demonstrates that SC in this material occurs primarily within the bilayer subsystem exhibiting an s± wave pairing symmetry similar to that observed in pressurized La\u003csub\u003e3\u003c/sub\u003eNi\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e7\u003c/sub\u003e, while the single-layer subsystem mainly serves as a bridge facilitating the inter-bilayer phase coherence through the interlayer Josephson coupling (IJC). Since the IJC thus attained is extremely weak, it experiences a prominent enhancement under pressure, leading to the increase of the bulk T\u003csub\u003ec\u003c/sub\u003e with pressure initially. When the pressure is high enough, the T\u003csub\u003ec\u003c/sub\u003e gradually decreases due to the reduced density of states on the γ-pocket. In this way, the dome-shaped pressure dependence of T\u003csub\u003ec\u003c/sub\u003e observed experimentally is naturally understood.","manuscriptTitle":"Pairing mechanism and superconductivity in pressurized La5Ni3O11","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-06-30 02:35:34","doi":"10.21203/rs.3.rs-6852646/v1","editorialEvents":[],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"communications-physics","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"commsphys","sideBox":"Learn more about [Communications Physics](http://www.nature.com/commsphys/)","snPcode":"","submissionUrl":"","title":"Communications Physics","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"ejp","reportingPortfolio":"Communications Series","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"35845b78-d8e9-40b0-9afe-941e784e3ec1","owner":[],"postedDate":"June 30th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[{"id":50757604,"name":"Physical sciences/Physics/Condensed-matter physics/Superconducting properties and materials"},{"id":50757605,"name":"Physical sciences/Physics/Condensed-matter physics/Electronic properties and materials"}],"tags":[],"updatedAt":"2025-06-30T02:35:34+00:00","versionOfRecord":[],"versionCreatedAt":"2025-06-30 02:35:34","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-6852646","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-6852646","identity":"rs-6852646","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}