High-throughput screening of spin Hall conductivity in 2D materials

High-throughput screening of spin Hall conductivity in 2D 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 High-throughput screening of spin Hall conductivity in 2D materials Fu Li, Xiaoxiong Liu, Vikrant Chaudhary, Ruiwen Xie, Chen Shen, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7745471/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 Two-dimensional (2D) materials with large spin Hall effect (SHE) have attracted significant attention due to their potential applications in next-generation spintronic devices. In this work, we perform high-throughput (HTP) calculations to obtain the spin Hall conductivity (SHC) of 4486 non-magnetic compounds in the 2Dmatpedia database and identify six materials with SHC exceeding 500 (ℏ/e)(S/cm), surpassing those of previous known materials. Detailed analysis reveals that the significant SHC can be attributed to spin-orbit coupling (SOC)-induced gap openings at Dirac-like band crossings. Additionally, the presence of mirror symmetry further enhances the SHC. Beyond the high SHC materials, 57 topological insulators with quantized SHCs have also been identified. Our work enables rapid screening and paves the way for experimental validation, potentially accelerating the discovery of novel 2D materials optimized for spintronics applications. Physical sciences/Materials science Physical sciences/Nanoscience and technology Physical sciences/Physics High-throughput calculations Two-dimensional materials Spin Hall conductivity Spintronics Full Text Additional Declarations No competing interests reported. Supplementary Files SupportingInformation.docx 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. 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-7745471","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":550379726,"identity":"c7fc5069-312b-4b15-b110-4de2466717f6","order_by":0,"name":"Fu Li","email":"","orcid":"","institution":"Technical University of Darmstadt","correspondingAuthor":false,"prefix":"","firstName":"Fu","middleName":"","lastName":"Li","suffix":""},{"id":550379727,"identity":"1600d3a3-a125-4082-b9ad-ff82153d757a","order_by":1,"name":"Xiaoxiong Liu","email":"","orcid":"","institution":"Southern University of Science and 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