Shell Antiferromagnetism in the Mixed Spin-(3/2,2) Mn12-ac Single Molecule Magnet

Shell Antiferromagnetism in the Mixed Spin-(3/2,2) Mn12-ac Single Molecule Magnet | 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 Shell Antiferromagnetism in the Mixed Spin-(3/2,2) Mn12-ac Single Molecule Magnet Yasin Göktürk Yıldız, Gökçen Dikici Yıldız This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-8355196/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 Shell antiferromagnetism effects on the magnetic properties of the mixed spin-(3/2,2) core/shell Mn 12 -ac Single Molecule Magnet (SMM) are modeled and investigated by using Ising model within the effective field theory developed by Kaneyoshi. We find that the compensation (Tcomp) and Curie temperature (Tc) are obtained at 0.809 and 1.517, respectively. Magnetization of the spin-2 shell Mn atoms (Mns) is negative whereas the magnetization of the spin-3/2 core Mn atoms (Mnc) is positive versus temperature. The hysteresis loops of total Mn 12 -ac exhibit steps indicative of quantum tunneling of magnetization (QTM). Since the magnetization of total Mn 12 -ac exhibits compensation and QTM behavior, we suggest that there is a strong relationship between the compensation and QTM behavior resulting from the shell antiferromagnetism (spins of Mns are down and the spins of the Os are up) in the mixed spin-(3/2,2) core/shell Mn 12 -ac SMM. Mn12-ac Single molecule magnet quantum tunneling of magnetization Effective field theory Ising Model Full Text Additional Declarations No competing interests reported. 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-8355196","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":561253078,"identity":"852954c0-272c-4c2c-bcf2-e482ccd7a381","order_by":0,"name":"Yasin Göktürk Yıldız","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAAyUlEQVRIiWNgGAWjYFACNhCRICfBA+cQ1sLYANRiDNfCQ6yWxBlEa5F3b0t/zLsnLX1mzxkDhg9lhxnspQ/g12J45tjBZp5nObmzeXsMGGecO8zAw5dAQMuM9MZmngMVufP4eQyYeduAWgi5DKYlXQ6k5S8xWuQl0oAOO5CTIA10GDMjMVoMeI4lzpxzIM1wZs+xgoM959J5eM4QsqW9zeDDmwPJ8hJnkjc++FFmLcfeQ8iWA0gcEJtwTMo3EFQyCkbBKBgFIx4AABXOPmg1akrLAAAAAElFTkSuQmCC","orcid":"","institution":"Kırıkkale University","correspondingAuthor":true,"prefix":"","firstName":"Yasin","middleName":"Göktürk","lastName":"Yıldız","suffix":""},{"id":561253079,"identity":"0b15f604-83d8-478e-b7fd-77e2b2aa28e8","order_by":1,"name":"Gökçen Dikici Yıldız","email":"","orcid":"","institution":"Kırıkkale University","correspondingAuthor":false,"prefix":"","firstName":"Gökçen","middleName":"Dikici","lastName":"Yıldız","suffix":""}],"badges":[],"createdAt":"2025-12-13 22:53:12","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-8355196/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-8355196/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":98624252,"identity":"be6e85b7-6e58-4e40-90e9-c6f236ebf8f1","added_by":"auto","created_at":"2025-12-19 17:08:12","extension":"docx","order_by":0,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":494006,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.docx","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/d57e637135f9782203b3282f.docx"},{"id":98478301,"identity":"33ce9fa7-8790-4a3f-bc40-b43f2325a4b1","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"json","order_by":1,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":3508,"visible":true,"origin":"","legend":"","description":"","filename":"f23777085f934bb0b0d53e0a7071a481.json","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/480e1bfeb72722da46011ad9.json"},{"id":98623821,"identity":"fa72209d-3b54-420b-8b0f-e0af21e7a856","added_by":"auto","created_at":"2025-12-19 17:07:38","extension":"xml","order_by":2,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":111927,"visible":true,"origin":"","legend":"","description":"","filename":"f23777085f934bb0b0d53e0a7071a4811enriched.xml","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/3232aaf56b1919d565bae778.xml"},{"id":98623728,"identity":"56acf0a9-8e9c-437a-92c6-9cbcd4e61828","added_by":"auto","created_at":"2025-12-19 17:07:26","extension":"png","order_by":3,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":81565,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage1.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/f55dbbd6def83e6f7ca92673.png"},{"id":98478304,"identity":"e7fc3cf4-8f11-4956-ade4-d2c684040f4e","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"wmf","order_by":4,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":756,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage2.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/00622923b451664c9d52bd3b.wmf"},{"id":98478321,"identity":"e8097811-ff40-4de1-bc8d-6d1ff796a810","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"emf","order_by":5,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":177176,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage3.emf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/4bc374809749055c32919f5c.emf"},{"id":98478310,"identity":"19b2a9df-af88-47a1-9d37-0a9f48f59592","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"emf","order_by":6,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":543432,"visible":true,"origin":"","legend":"","description":"","filename":"floatimage4.emf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/ad32dfc0e91209197148aef2.emf"},{"id":98624026,"identity":"4e667ce9-345a-4e10-af42-08848d6d2e52","added_by":"auto","created_at":"2025-12-19 17:07:54","extension":"wmf","order_by":7,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":4538,"visible":true,"origin":"","legend":"","description":"","filename":"image2.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/39cc820e27151023cfd1cceb.wmf"},{"id":98623685,"identity":"1d07211d-50cd-4cb9-9812-a893794f3f1a","added_by":"auto","created_at":"2025-12-19 17:07:18","extension":"wmf","order_by":8,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":6064,"visible":true,"origin":"","legend":"","description":"","filename":"image3.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/b42bdcdaa3959b11bde6204a.wmf"},{"id":98623282,"identity":"b0018550-f944-41be-8edc-7895ec688f5f","added_by":"auto","created_at":"2025-12-19 17:05:35","extension":"wmf","order_by":9,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":9478,"visible":true,"origin":"","legend":"","description":"","filename":"image4.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/3e0e6547c29f8bab43440a68.wmf"},{"id":98478307,"identity":"3b0fe2fd-58e2-4fb1-97f8-257b938439f6","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"wmf","order_by":10,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":9406,"visible":true,"origin":"","legend":"","description":"","filename":"image5.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/1eee14162541669af2b24c10.wmf"},{"id":98624116,"identity":"14708622-300a-4696-a78c-80ffaceed60d","added_by":"auto","created_at":"2025-12-19 17:08:02","extension":"wmf","order_by":11,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":19952,"visible":true,"origin":"","legend":"","description":"","filename":"image7.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/243b6865ce03392e9e0d13a7.wmf"},{"id":98478319,"identity":"25b00035-3df4-4177-a037-af06e4cd0e42","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"wmf","order_by":12,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":2070,"visible":true,"origin":"","legend":"","description":"","filename":"image8.wmf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/031717e3c71beaecf34c1ae5.wmf"},{"id":98623343,"identity":"4a8f65bb-5978-4392-8e56-553f97efce05","added_by":"auto","created_at":"2025-12-19 17:05:51","extension":"png","order_by":13,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":17343,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage1.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/7f590a72ce96f9afa4d56505.png"},{"id":98623291,"identity":"5101d9b3-f36b-4637-8018-6ea1b32ccae4","added_by":"auto","created_at":"2025-12-19 17:05:38","extension":"png","order_by":14,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":504,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage2.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/4a8b19373be2305a3d0c1fa2.png"},{"id":98478317,"identity":"5d30e1f4-a626-4021-b9d1-65ad20716988","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"png","order_by":15,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":5609,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/25bcd85a822d8e972dd7ecde.png"},{"id":98478316,"identity":"b5153593-1fcc-4635-9189-2ca11cc82139","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"png","order_by":16,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":22472,"visible":true,"origin":"","legend":"","description":"","filename":"Onlinefloatimage4.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/928ed872223df09fbe88f3f6.png"},{"id":98478322,"identity":"7affc72d-de94-4e1d-b288-2e8b9a8fddd4","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"png","order_by":17,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":5019,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage2.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/bed74cf9541c0f47c1d2e88e.png"},{"id":98478320,"identity":"c3d9ab96-f594-4030-b010-19315db24274","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"png","order_by":18,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":8373,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage3.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/bc7e7cda9f0b118d98c3771f.png"},{"id":98478313,"identity":"cf3d96f4-8a01-42f1-9e1f-d69d640bc39f","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"png","order_by":19,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":10305,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage4.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/3f91ff6ad36e5f97977abd23.png"},{"id":98623692,"identity":"1f335edb-6475-4fb5-9061-b5bf5354ed86","added_by":"auto","created_at":"2025-12-19 17:07:21","extension":"png","order_by":20,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":10532,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage5.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/13eb1da667283b4ea5ea9c32.png"},{"id":98623786,"identity":"d95b8749-4101-4884-9e1d-50082936a2f8","added_by":"auto","created_at":"2025-12-19 17:07:33","extension":"png","order_by":21,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":24974,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage7.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/d8d547a71009f5f9e9ee2328.png"},{"id":98624151,"identity":"5f637a40-4c23-4ba4-b404-1256237c5e18","added_by":"auto","created_at":"2025-12-19 17:08:04","extension":"png","order_by":22,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":1902,"visible":true,"origin":"","legend":"","description":"","filename":"Onlineimage8.png","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/4bf239ea412a06a39e831296.png"},{"id":98623399,"identity":"cd92e991-bf47-4270-82e1-9d87ef660f10","added_by":"auto","created_at":"2025-12-19 17:06:06","extension":"xml","order_by":23,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":111230,"visible":true,"origin":"","legend":"","description":"","filename":"f23777085f934bb0b0d53e0a7071a4811structuring.xml","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/efabd7c5cffae2d5ae4b58bb.xml"},{"id":98478324,"identity":"41a4c35c-e212-46c3-bece-63574364685d","added_by":"auto","created_at":"2025-12-18 04:25:00","extension":"html","order_by":24,"title":"","display":"","copyAsset":false,"role":"acdc-reference","size":122860,"visible":true,"origin":"","legend":"","description":"","filename":"earlyproof.html","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1/514434b07f2f79556b58a419.html"},{"id":98631644,"identity":"8ebd45da-e908-4f60-8a7c-d0e163b97138","added_by":"auto","created_at":"2025-12-19 17:20:17","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":547991,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-8355196/v1_covered_e4b578d9-b380-4df5-91d8-293bbc934e53.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Shell Antiferromagnetism in the Mixed Spin-(3/2,2) Mn12-ac Single Molecule Magnet","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":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":"Mn12-ac, Single molecule magnet, quantum tunneling of magnetization, Effective field theory, Ising Model","lastPublishedDoi":"10.21203/rs.3.rs-8355196/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-8355196/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eShell antiferromagnetism effects on the magnetic properties of the mixed spin-(3/2,2) core/shell Mn\u003csub\u003e12\u003c/sub\u003e-ac Single Molecule Magnet (SMM) are modeled and investigated by using Ising model within the effective field theory developed by Kaneyoshi. We find that the compensation (Tcomp) and Curie temperature (Tc) are obtained at 0.809 and 1.517, respectively. Magnetization of the spin-2 shell Mn atoms (Mns) is negative whereas the magnetization of the spin-3/2 core Mn atoms (Mnc) is positive versus temperature. The hysteresis loops of total Mn\u003csub\u003e12\u003c/sub\u003e-ac exhibit steps indicative of quantum tunneling of magnetization (QTM). Since the magnetization of total Mn\u003csub\u003e12\u003c/sub\u003e-ac exhibits compensation and QTM behavior, we suggest that there is a strong relationship between the compensation and QTM behavior resulting from the shell antiferromagnetism (spins of Mns are down and the spins of the Os are up) in the mixed spin-(3/2,2) core/shell Mn\u003csub\u003e12\u003c/sub\u003e-ac SMM.\u003c/p\u003e","manuscriptTitle":"Shell Antiferromagnetism in the Mixed Spin-(3/2,2) Mn12-ac Single Molecule Magnet","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-12-18 04:24:55","doi":"10.21203/rs.3.rs-8355196/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":"6f73feb9-48e5-4599-8c58-2ec5f6f9335b","owner":[],"postedDate":"December 18th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2025-12-18T04:24:55+00:00","versionOfRecord":[],"versionCreatedAt":"2025-12-18 04:24:55","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-8355196","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-8355196","identity":"rs-8355196","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}