Revisiting the Abundance of Topological Materials

Revisiting the Abundance of Topological Materials | 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 Revisiting the Abundance of Topological Materials Hossein Mirhosseini, Luis Elcoro, Andreas Knüpfer, Thomas D. Kühne This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5923654/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract The classification of topological materials is revisited using advanced computational workflows that integrate hybrid density functional theory calculations with exact Hartree-Fock exchange. Unlike previous studies, our workflow optimizes atomic configurations obtained from the Materials Project Database, followed by precise electronic structure calculations. Our results based on hybrid density functional theory calculations reveal that only 15% of materials are topologically nontrivial, which is in stark contrast to the previously reported 30% based on semi-local exchange and correlation functionals. This discrepancy underscores the critical dependence of topological classifications on accurate atomic and electronic structures, rendering the abundance of topological materials much lower than generally assumed. Physical sciences/Materials science/Condensed matter physics/Topological matter Physical sciences/Materials science/Theory and computation/Computational methods Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted 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. 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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-5923654","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":434518002,"identity":"7b799e36-063f-462e-9830-3c99fecef15e","order_by":0,"name":"Hossein Mirhosseini","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA2UlEQVRIiWNgGAWjYBACAyA+wNgAYgLJhIoDQC4DgwQJWs4QqYUBogXEaCNCizkDd+Lhyh029vLtzW0PHs67Y893+wDjjQ94tFg28G44ePZMWuKGMwfbDRK3PWOWPJfAbDkDn8MOALU0th1OMJBIbJNI3HaYzeAMA5s0DxFa7OXnPwRqmXOYB6zlDxFaGBtuMAK1NByWAGvB532Dw2AtIL8AHZZw7LCB5BnGZssefFqO927+2NgGCrHjzyR/1By25zvDfPDGD3zWMGMKwaNpFIyCUTAKRgG5AADjDFhF+6DduwAAAABJRU5ErkJggg==","orcid":"","institution":"Center for Advanced Systems Understanding","correspondingAuthor":true,"prefix":"","firstName":"Hossein","middleName":"","lastName":"Mirhosseini","suffix":""},{"id":434518003,"identity":"7c96a49d-c881-498b-9ebf-1eaa090ffc2c","order_by":1,"name":"Luis Elcoro","email":"","orcid":"","institution":"University of the Basque Country","correspondingAuthor":false,"prefix":"","firstName":"Luis","middleName":"","lastName":"Elcoro","suffix":""},{"id":434518004,"identity":"35fec3b6-0ac0-45c8-8cd3-1f631cdc811e","order_by":2,"name":"Andreas Knüpfer","email":"","orcid":"","institution":"Center for Advanced Systems Understanding","correspondingAuthor":false,"prefix":"","firstName":"Andreas","middleName":"","lastName":"Knüpfer","suffix":""},{"id":434518005,"identity":"3da68db5-53ae-4c67-b9da-bb3835e0a9b8","order_by":3,"name":"Thomas D. 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