Lattice excitations in NdFeO 3 through polarized optical spectroscopies

Lattice excitations in NdFeO 3 through polarized optical spectroscopies | 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 Lattice excitations in NdFeO 3 through polarized optical spectroscopies Mariana Gomes, Rui Vilarinho, H. Zhao, Jorge Íñiguez, Marián Mihálik, and 6 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4270554/v1 This work is licensed under a CC BY 4.0 License Status: Under Review Version 1 posted 10 You are reading this latest preprint version Abstract The possibility of inducing new polar and/or magnetic transient states through the pumping of optical phonons towards the non-linear regime has renewed the scientific interest in orthoferrites. Nonetheless, to perform these studies it is fundamental to have a deep knowledge of the lattice excitations at equilibrium conditions. In this work, we present a complete characterization of the optically-active zone-center phonons in NdFeO 3 single crystals at room temperature and at 4 K, by means of polarized Raman and infrared spectroscopies. All the predicted optical phonons were successfully observed together with some of the crystal-field excitations. First-principles simulations further allow the eigenmode and symmetry assignments of the optical phonons. The calculated atomic motions of each mode are of significant interest, as they are common for all orthoferrites and to most of the large family of orthorhombic Pbnm perovskites. Physical sciences/Physics Physical sciences/Physics/Condensed matter physics Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Under Review Version 1 posted Editorial decision: Revision requested 30 May, 2024 Reviews received at journal 26 May, 2024 Reviews received at journal 22 May, 2024 Reviewers agreed at journal 05 May, 2024 Reviewers agreed at journal 05 May, 2024 Reviewers invited by journal 03 May, 2024 Editor assigned by journal 02 May, 2024 Editor invited by journal 02 May, 2024 Submission checks completed at journal 01 May, 2024 First submitted to journal 15 Apr, 2024 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-4270554","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":298865764,"identity":"d2b2f459-aae5-4d17-b1e1-3f60f5de9fb5","order_by":0,"name":"Mariana Gomes","email":"","orcid":"","institution":"IFIMUP, Universidade do Porto","correspondingAuthor":false,"prefix":"","firstName":"Mariana","middleName":"","lastName":"Gomes","suffix":""},{"id":298865773,"identity":"477a77cb-5d02-44b9-95f6-f29f2219b169","order_by":1,"name":"Rui Vilarinho","email":"","orcid":"","institution":"IFIMUP, Universidade do Porto","correspondingAuthor":false,"prefix":"","firstName":"Rui","middleName":"","lastName":"Vilarinho","suffix":""},{"id":298865776,"identity":"f3869929-f6ef-45d9-ab1b-f6a087fd66a0","order_by":2,"name":"H. 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Nonetheless, to perform these studies it is fundamental to have a deep knowledge of the lattice excitations at equilibrium conditions. In this work, we present a complete characterization of the optically-active zone-center phonons in NdFeO\u003csub\u003e3\u003c/sub\u003e single crystals at room temperature and at 4 K, by means of polarized Raman and infrared spectroscopies. All the predicted optical phonons were successfully observed together with some of the crystal-field excitations. First-principles simulations further allow the eigenmode and symmetry assignments of the optical phonons. 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