Bound states in doped charge transfer insulators

Bound states in doped charge transfer insulators | 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 Bound states in doped charge transfer insulators Kun Jiang, Pengfei Li, Yang Shen, Mingpu Qin, Jiangping Hu, Tao Xiang This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7725497/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 Understanding the physics of doped charge transfer insulators is the most important problem in high-temperature superconductivity. In this work, we show that an in-gap bound state emerges from the localized hole of the doped charge transfer insulator. We propose an approximate ground state wavefunction based on one localized Zhang-Rice singlet and the Neel state. By calculating the excitation states with one hole added and removed from this ground state, we successfully identify the existence of bound states inside the charge transfer gap. This feature is further proved by the MPS-based Lanczos study of a system of 4×4 CuO 2 unit cells. How these bound states evolve into metallic states is further discussed. Our findings identify the key component of recent STM results on lightly doped Ca 2 CuO 2 Cl 2 and provide a new understanding of hole-doped charge transfer insulators. Physical sciences/Physics/Condensed-matter physics/Electronic properties and materials Physical sciences/Physics/Condensed-matter physics/Superconducting properties and materials Full Text Additional Declarations There is NO Competing Interest. 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-7725497","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":529670202,"identity":"30cdaaa5-b62e-4c44-9333-2cd1dfda575c","order_by":0,"name":"Kun 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In this work, we show that an in-gap bound state emerges from the localized hole of the doped charge transfer insulator. We propose an approximate ground state wavefunction based on one localized Zhang-Rice singlet and the Neel state. By calculating the excitation states with one hole added and removed from this ground state, we successfully identify the existence of bound states inside the charge transfer gap. This feature is further proved by the MPS-based Lanczos study of a system of 4×4 CuO\u003csub\u003e2\u003c/sub\u003e unit cells. How these bound states evolve into metallic states is further discussed. Our findings identify the key component of recent STM results on lightly doped Ca\u003csub\u003e2\u003c/sub\u003eCuO\u003csub\u003e2\u003c/sub\u003eCl\u003csub\u003e2\u003c/sub\u003e and provide a new understanding of hole-doped charge transfer insulators.","manuscriptTitle":"Bound states in doped charge transfer insulators","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-10-16 05:27:27","doi":"10.21203/rs.3.rs-7725497/v1","editorialEvents":[],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"nature-communications","isNatureJournal":true,"hasQc":false,"allowDirectSubmit":false,"externalIdentity":"NCOMMS","sideBox":"Learn more about [Nature Communications](http://www.nature.com/ncomms/)","snPcode":"","submissionUrl":"https://mts-ncomms.nature.com/","title":"Nature Communications","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"ejp","reportingPortfolio":"Nature Communications","inReviewEnabled":true,"inReviewRevisionsEnabled":false}}],"origin":"","ownerIdentity":"cd6e0268-7bf9-4324-956b-73b5c5e47125","owner":[],"postedDate":"October 16th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"under-review","subjectAreas":[{"id":56301273,"name":"Physical sciences/Physics/Condensed-matter physics/Electronic properties and materials"},{"id":56301274,"name":"Physical sciences/Physics/Condensed-matter physics/Superconducting properties and materials"}],"tags":[],"updatedAt":"2026-04-06T09:15:16+00:00","versionOfRecord":[],"versionCreatedAt":"2025-10-16 05:27:27","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-7725497","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7725497","identity":"rs-7725497","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}