Structure-Property Correlations in Neodymium-doped Sr 2 ZnTeO 6 : Insights into Optical and Dielectric Analysis

Structure-Property Correlations in Neodymium-doped Sr 2 ZnTeO 6 : Insights into Optical and Dielectric Analysis | 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 Research Article Structure-Property Correlations in Neodymium-doped Sr 2 ZnTeO 6 : Insights into Optical and Dielectric Analysis P. S Ramu Murthy, Kapil Salkar, Prachi Chopdenkar, Ojaswi Durbhatkar This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7693052/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 08 Feb, 2026 Read the published version in Journal of Materials Science: Materials in Electronics → Version 1 posted You are reading this latest preprint version Abstract This study investigates the optical, structural, and dielectric characteristics of Nd-doping in Sr₂Zn₁- x Nd x TeO₆ (0 ≤ x ≤ 0.2) double perovskite ceramics synthesised via the solid-state reaction technique. Structural analysis, performed through room-temperature X-ray diffraction and Rietveld refinement, confirmed a monoclinic I2/m structure, with microstrain and crystallite size being influenced by the Nd 3+ content. The successful substitution of Nd 3+ for Zn 2+ was evident from the consistency in the peak positions for all compositions. Reitveld refinement indicated variations in unit cell volume in all compositions. Variations in tolerance factor ‘τ’ and tilting angle ‘ɸ’ stated existence of octahedral tilting. The FTIR spectra exhibit key absorption bands corresponding to metal–oxygen bonding modes within the perovskite lattice. Notably, peaks near 470 cm⁻¹,539.5 cm⁻¹, and 656 cm⁻¹ correspond to Zn-O and Te–O bending and stretching modes, in ZnO 6 and TeO 6 octahedra. Additional features around 678 cm⁻¹ and 709 cm⁻¹ are linked to Te-O overtones or antisymmetric stretches. With increasing Nd³⁺ substitution (x = 0.0 to 0.2), peaks shift to lower wavenumber, broaden, and show reduced transmittance, indicating lattice distortion and weakening metal-oxygen bonding because of a larger ionic radius of Nd 3+ replacing Zn 2+ . Despite these changes, the double perovskite structure remains intact with altered local vibrational dynamics. UV-Visible studies indicated a drop in band gap from 3.77 eV in undoped composition to 3.52 eV for x = 0.2, with increasing Nd doping content, indicating an enhancement in conductivity. This is also an indication that Nd doping initiates new electronic states within the bandgap, minimising energy for required electronic transitions. FESEM and EDX analyses revealed homogeneous distribution of Nd ions and grain evolution with doping, while FTIR and Raman spectroscopy provided insights into lattice vibrations and bond modifications. Dielectric analysis revealed frequency and temperature-dependent behaviour, characterised by an enhanced dielectric constant and conductivity at optimal doping levels. The results suggest that the material is suitable for applications in high-energy storage and optoelectronic devices. Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Published Journal Publication published 08 Feb, 2026 Read the published version in Journal of Materials Science: Materials in Electronics → 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-7693052","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":529668439,"identity":"2239080a-b98a-4b1e-92aa-d0ced2d48fb3","order_by":0,"name":"P. 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16:15:39","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1269824,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7693052/v1_covered_7d39d5e6-71ca-4190-a9a2-65fe76913a04.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Structure-Property Correlations in Neodymium-doped Sr 2 ZnTeO 6 : Insights into Optical and Dielectric Analysis","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-7693052/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7693052/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThis study investigates the optical, structural, and dielectric characteristics of Nd-doping in Sr₂Zn₁-\u003csub\u003ex\u003c/sub\u003eNd\u003csub\u003ex\u003c/sub\u003eTeO₆ (0\u0026thinsp;\u0026le;\u0026thinsp;x\u0026thinsp;\u0026le;\u0026thinsp;0.2) double perovskite ceramics synthesised via the solid-state reaction technique. Structural analysis, performed through room-temperature X-ray diffraction and Rietveld refinement, confirmed a monoclinic I2/m structure, with microstrain and crystallite size being influenced by the Nd\u003csup\u003e3+\u003c/sup\u003e content. The successful substitution of Nd\u003csup\u003e3+\u003c/sup\u003e for Zn\u003csup\u003e2+\u003c/sup\u003e was evident from the consistency in the peak positions for all compositions. Reitveld refinement indicated variations in unit cell volume in all compositions. Variations in tolerance factor \u0026lsquo;τ\u0026rsquo; and tilting angle \u0026lsquo;ɸ\u0026rsquo; stated existence of octahedral tilting. The FTIR spectra exhibit key absorption bands corresponding to metal\u0026ndash;oxygen bonding modes within the perovskite lattice. Notably, peaks near 470 cm⁻\u0026sup1;,539.5 cm⁻\u0026sup1;, and 656 cm⁻\u0026sup1; correspond to Zn-O and Te\u0026ndash;O bending and stretching modes, in ZnO\u003csub\u003e6\u003c/sub\u003e and TeO\u003csub\u003e6\u003c/sub\u003e octahedra. Additional features around 678 cm⁻\u0026sup1; and 709 cm⁻\u0026sup1; are linked to Te-O overtones or antisymmetric stretches. With increasing Nd\u0026sup3;⁺ substitution (x\u0026thinsp;=\u0026thinsp;0.0 to 0.2), peaks shift to lower wavenumber, broaden, and show reduced transmittance, indicating lattice distortion and weakening metal-oxygen bonding because of a larger ionic radius of Nd\u003csup\u003e3+\u003c/sup\u003e replacing Zn\u003csup\u003e2+\u003c/sup\u003e. Despite these changes, the double perovskite structure remains intact with altered local vibrational dynamics. UV-Visible studies indicated a drop in band gap from 3.77 eV in undoped composition to 3.52 eV for x\u0026thinsp;=\u0026thinsp;0.2, with increasing Nd doping content, indicating an enhancement in conductivity. This is also an indication that Nd doping initiates new electronic states within the bandgap, minimising energy for required electronic transitions.\u003c/p\u003e\u003cp\u003eFESEM and EDX analyses revealed homogeneous distribution of Nd ions and grain evolution with doping, while FTIR and Raman spectroscopy provided insights into lattice vibrations and bond modifications. Dielectric analysis revealed frequency and temperature-dependent behaviour, characterised by an enhanced dielectric constant and conductivity at optimal doping levels. The results suggest that the material is suitable for applications in high-energy storage and optoelectronic devices.\u003c/p\u003e","manuscriptTitle":"Structure-Property Correlations in Neodymium-doped Sr 2 ZnTeO 6 : Insights into Optical and Dielectric Analysis","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-10-16 04:07:34","doi":"10.21203/rs.3.rs-7693052/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"c2ee6aaf-f2ff-44a4-bbab-6bc20695153d","owner":[],"postedDate":"October 16th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2026-02-09T16:11:00+00:00","versionOfRecord":{"articleIdentity":"rs-7693052","link":"https://doi.org/10.1007/s10854-026-16672-8","journal":{"identity":"journal-of-materials-science-materials-in-electronics","isVorOnly":false,"title":"Journal of Materials Science: Materials in Electronics"},"publishedOn":"2026-02-08 15:59:38","publishedOnDateReadable":"February 8th, 2026"},"versionCreatedAt":"2025-10-16 04:07:34","video":"","vorDoi":"10.1007/s10854-026-16672-8","vorDoiUrl":"https://doi.org/10.1007/s10854-026-16672-8","workflowStages":[]},"version":"v1","identity":"rs-7693052","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7693052","identity":"rs-7693052","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}