Theoretical analysis of the effective masses, bonding and optical properties of zinc-blende Cadmium chalcogenides

Theoretical analysis of the effective masses, bonding and optical properties of zinc-blende Cadmium chalcogenides | 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 Theoretical analysis of the effective masses, bonding and optical properties of zinc-blende Cadmium chalcogenides S.Ouendadji This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7489385/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 We present the results of density functional calculations to study the electronic structures and the effective masses for II-VI zinc-blende wide band gap semiconductor compounds by computing the curvature of the principal band extrema at the point. We also calculated the optical properties of the technologically important using the full potential linearized augmented plane wave method within the (GGA) approximation. Our calculations were performed to evaluate the dielectric function (real and imaginary parts), and the loss function of the II–VI semiconductors. Also, the refractive index and the extinction coefficient are all studied. Detailed comparisons are made with published experimental and theoretical data and show generally good agreement. The present results regarding the studied quantities are predicted and may serve as reference for experimental work. Numerical Analysis FP-LAPW DFT cadmium chalcogenides effective masses optical properties Full Text Additional Declarations The authors declare no competing interests. Supplementary Files Declarationofcompetinginterest.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-7489385","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":507516652,"identity":"c21ea8ca-7b72-421a-8d4f-09deabc17f7f","order_by":0,"name":"S.Ouendadji","email":"data:image/png;base64,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","orcid":"https://orcid.org/0000-0001-6742-2070","institution":"constantine university1","correspondingAuthor":true,"prefix":"","firstName":"","middleName":"","lastName":"S.Ouendadji","suffix":""}],"badges":[],"createdAt":"2025-08-29 14:19:02","currentVersionCode":1,"declarations":{"humanSubjects":false,"vertebrateSubjects":false,"conflictsOfInterestStatement":false,"humanSubjectEthicalGuidelines":false,"humanSubjectConsent":false,"humanSubjectClinicalTrial":false,"humanSubjectCaseReport":false,"vertebrateSubjectEthicalGuidelines":false},"doi":"10.21203/rs.3.rs-7489385/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-7489385/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":90419517,"identity":"54fb4fce-a6da-4b6f-a786-35f8ebd64e00","added_by":"auto","created_at":"2025-09-02 13:49:29","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":608001,"visible":true,"origin":"","legend":"","description":"","filename":"submit1corrected.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7489385/v1_covered_64da8011-07c0-4256-a520-dd852f3692bd.pdf"},{"id":90419029,"identity":"c5d0a8d0-965c-46a2-9687-7ed464b59857","added_by":"auto","created_at":"2025-09-02 13:41:19","extension":"docx","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":12345,"visible":true,"origin":"","legend":"","description":"","filename":"Declarationofcompetinginterest.docx","url":"https://assets-eu.researchsquare.com/files/rs-7489385/v1/0a954706f58657b13e715598.docx"}],"financialInterests":"The authors declare no competing interests.","formattedTitle":"\u003cp\u003eTheoretical analysis of the effective masses, bonding and optical properties of zinc-blende Cadmium chalcogenides\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":true,"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":"FP-LAPW, DFT, cadmium chalcogenides, effective masses, optical properties","lastPublishedDoi":"10.21203/rs.3.rs-7489385/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7489385/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eWe present the results of density functional calculations to study the electronic structures and the effective masses for II-VI zinc-blende wide band gap semiconductor compounds by computing the curvature of the principal band extrema at the point. 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