The resonant Raman response of confined carbyne is solely driven by anharmonic interactions

The resonant Raman response of confined carbyne is solely driven by anharmonic interactions | 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 The resonant Raman response of confined carbyne is solely driven by anharmonic interactions Emil Parth, Andrea Corradini, Weili Cui, Davide Romanin, Christin Schuster, and 5 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5247129/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 26 May, 2025 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract The resonant Raman response is due to electronic and vibrational excitations. Interestingly, the resonant Raman fingerprint of confined carbyne is highly unconventional and comes concomitant to several new features which can neither be assigned to the hosting tube, nor to the linear carbon chain a.k.a carbyne. This identifies the tube-chain system as a true hybrid structure in which the spectrum is usually driven by strong modifications in the electronic excitations via charge transfer. Surprisingly, we show that the electronic structure results from those of the two isolated systems and the large spectral modifications are solely due to the strong anharmonic interactions between the tube and the chain. Our work establishes confined carbyne as the ideal test system to probe strong anharmonicity in one dimension and its huge implications on the resonant Raman response. Physical sciences/Materials science/Condensed-matter physics/Electronic properties and materials Physical sciences/Materials science/Theory and computation/Electronic structure Physical sciences/Nanoscience and technology/Nanoscale materials/Nanowires Physical sciences/Physics/Condensed-matter physics/Surfaces, interfaces and thin films Physical sciences/Nanoscience and technology/Nanoscale materials/Carbon nanotubes and fullerenes Carbyne Nanotubes Raman SSCHA DFT anharmoic phonons Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Supplementary.pdf Cite Share Download PDF Status: Published Journal Publication published 26 May, 2025 Read the published version in Nature Communications → 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. 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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-5247129","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":371762115,"identity":"74b2f91c-f124-427e-9bb4-ea411a625cde","order_by":0,"name":"Emil 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This identifies the tube-chain system as a true hybrid structure in which the spectrum is usually driven by strong modifications in the electronic excitations via charge transfer. 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