Phase transitions, Dirac and WSM states in Mn1−xGexBi2Te4

Phase transitions, Dirac and WSM states in Mn1−xGexBi2Te4 | 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 Phase transitions, Dirac and WSM states in Mn1−xGexBi2Te4 A.M. Shikin, N.L. Zaitsev, T.P. Estyunina, D.A. Estyunin, A.G. Rybkin, and 13 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4539940/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 11 Jan, 2025 Read the published version in Scientific Reports → Version 1 posted 10 You are reading this latest preprint version Abstract Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental andtheoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energyband gap at the Dirac point (DP) for topological insulator (TI) Mn1−xGexBi2Te4 have been carried out with gradual replacementof magnetic Mn atoms by non-magnetic Ge atoms when concentration of the latter was varied from 10% to 75%. It was shownthat when Ge concentration increases then the bulk band gap decreases and reaches zero plateau in the concentration range of45%–60% while non-topological surface states (TSS) are present and exhibit an energy splitting of 100 and 70 meV in differenttypes of measurements. It was also shown that TSS disappear from the measured band dispersions at a Ge concentrationof about 40%. DFT calculations of Mn1−xGexBi2Te4 band structure were carried out to identify the nature of observed banddispersion features and to analyze a possibility of magnetic Weyl semimetal state formation in this system. These calculationswere performed for both antiferromagnetic (AFM) and ferromagnetic (FM) ordering types while the spin-orbit coupling (SOC)strength was varied or a strain (compression or tension) along the c-axis was applied. Calculations show that two differentseries of topological phase transitions (TPTs) may be implemented in this system depending on the magnetic ordering. At AFMordering transition between TI and trivial insulator phase goes through the Dirac semimetal state, whereas for FM phase suchroute admits three intermediate states instead of one (TI — Dirac semimetal — Weyl semimetal — Dirac semimetal — trivialinsulator). Weyl points that form in FM system along the ΓZ direction annihilate when either the SOC strength decreases or asufficient tensile strain is applied, which is accompanied by the corresponding TPTs. Model calculations of local magneticordering influence in AFM Mn1−xGexBi2Te4 was carried out by alternating Mn layers and Ge-doped layers and showed that themagnetic Weyl semimetal state in this system is reachable at a Ge concentration of approximately 40% without application ofany external magnetic fields Physical sciences/Materials science/Condensed matter physics Physical sciences/Materials science/Nanoscale materials Full Text Additional Declarations No competing interests reported. Supplementary Files supplementaryv2.zip Cite Share Download PDF Status: Published Journal Publication published 11 Jan, 2025 Read the published version in Scientific Reports → Version 1 posted Editorial decision: Revision requested 19 Jul, 2024 Reviews received at journal 10 Jul, 2024 Reviews received at journal 24 Jun, 2024 Reviewers agreed at journal 17 Jun, 2024 Reviewers agreed at journal 16 Jun, 2024 Reviewers invited by journal 11 Jun, 2024 Editor assigned by journal 11 Jun, 2024 Editor invited by journal 10 Jun, 2024 Submission checks completed at journal 10 Jun, 2024 First submitted to journal 06 Jun, 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. 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-4539940","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":318345580,"identity":"2bc7b9f4-e837-4fec-b828-5e68ee484644","order_by":0,"name":"A.M. Shikin","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAAs0lEQVRIiWNgGAWjYFACHoaDDQYMcmxABmlajEnTwtjAwJDYQLQW/v6zBw/OKLiT3ifde/AxD8M9oF4CQOJGXsLBDQbPcttkziUbzmAoJqyF4QaPwcEHBodz2yRyzCQ+MCQQ1iJ//gxYSzobSEsCMVoMDuQYAB12OIGNaFsMbwC1zDA4bNgmkQf0i0GCMUEtcufPGH/s+XNYXn5GLjDEKhJkCWpBdyeJ6kfBKBgFo2AUYAcAvcA/G4t1PX0AAAAASUVORK5CYII=","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":true,"prefix":"","firstName":"A.M.","middleName":"","lastName":"Shikin","suffix":""},{"id":318345581,"identity":"076415f3-10d5-4f42-bb7e-ff0be4d59b53","order_by":1,"name":"N.L. Zaitsev","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"N.L.","middleName":"","lastName":"Zaitsev","suffix":""},{"id":318345583,"identity":"48ba8caf-c7b3-4919-82a4-63aca6646f75","order_by":2,"name":"T.P. Estyunina","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"T.P.","middleName":"","lastName":"Estyunina","suffix":""},{"id":318345587,"identity":"04f1ccf6-1f7b-4f8d-a02f-9e943e232241","order_by":3,"name":"D.A. Estyunin","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"D.A.","middleName":"","lastName":"Estyunin","suffix":""},{"id":318345588,"identity":"eee58fe4-6f68-4fc7-9b6c-b857ffae3776","order_by":4,"name":"A.G. Rybkin","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"A.G.","middleName":"","lastName":"Rybkin","suffix":""},{"id":318345592,"identity":"708372eb-76a3-41cb-bc3c-fb73fa536865","order_by":5,"name":"D.A. Glazkova","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"D.A.","middleName":"","lastName":"Glazkova","suffix":""},{"id":318345597,"identity":"e98f8fd5-93a0-4314-9a66-494a733bfd71","order_by":6,"name":"I.I. Klimovskikh","email":"","orcid":"","institution":"Donostia International Physics Center","correspondingAuthor":false,"prefix":"","firstName":"I.I.","middleName":"","lastName":"Klimovskikh","suffix":""},{"id":318345599,"identity":"03539cbb-f73a-46e0-9a02-c1e335dc3282","order_by":7,"name":"A.V. Eryzhenkov","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"A.V.","middleName":"","lastName":"Eryzhenkov","suffix":""},{"id":318345600,"identity":"b6cf3bd8-daed-4d39-8493-d5521331fdaf","order_by":8,"name":"K.A. Kokh","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"K.A.","middleName":"","lastName":"Kokh","suffix":""},{"id":318345602,"identity":"a5cb58a6-0fb9-4d9a-9c81-9b9e3dea9b73","order_by":9,"name":"V.A. Golyashov","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"V.A.","middleName":"","lastName":"Golyashov","suffix":""},{"id":318345604,"identity":"a626248f-b9e3-46d5-9f12-21876461a288","order_by":10,"name":"O.E. Tereshchenko","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"O.E.","middleName":"","lastName":"Tereshchenko","suffix":""},{"id":318345605,"identity":"eb26fd9b-ec03-4210-9ee2-e833ddc1e718","order_by":11,"name":"S. Ideta","email":"","orcid":"","institution":"Research Institute for Synchrotron Radiation Science, Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"S.","middleName":"","lastName":"Ideta","suffix":""},{"id":318345606,"identity":"f6006ccd-670d-4d3e-9284-8b3a08c87b8e","order_by":12,"name":"Y. Miyai","email":"","orcid":"","institution":"Research Institute for Synchrotron Radiation Science, Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"Y.","middleName":"","lastName":"Miyai","suffix":""},{"id":318345608,"identity":"80503ea1-2408-446e-8195-e1a1c71ab991","order_by":13,"name":"T. Iwata","email":"","orcid":"","institution":"International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM2), Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"T.","middleName":"","lastName":"Iwata","suffix":""},{"id":318345610,"identity":"3cda3213-24d4-4a07-8715-24aea6e102ad","order_by":14,"name":"T. Kosa","email":"","orcid":"","institution":"Graduate School of Advanced Science and Engineering, Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"T.","middleName":"","lastName":"Kosa","suffix":""},{"id":318345611,"identity":"303db1ce-22f0-4f97-9a7d-4cbedceb4110","order_by":15,"name":"K. Kuroda","email":"","orcid":"","institution":"Graduate School of Advanced Science and Engineering, Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"K.","middleName":"","lastName":"Kuroda","suffix":""},{"id":318345612,"identity":"1e4065ba-cec5-43ca-9bc0-ca5a726342d5","order_by":16,"name":"K. Shimada","email":"","orcid":"","institution":"Research Institute for Synchrotron Radiation Science, Hiroshima University","correspondingAuthor":false,"prefix":"","firstName":"K.","middleName":"","lastName":"Shimada","suffix":""},{"id":318345616,"identity":"c56a812a-d1c7-43cb-a2fc-9316d06c7210","order_by":17,"name":"A.V. Tarasov","email":"","orcid":"","institution":"Saint Petersburg State University","correspondingAuthor":false,"prefix":"","firstName":"A.V.","middleName":"","lastName":"Tarasov","suffix":""}],"badges":[],"createdAt":"2024-06-06 11:14:15","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-4539940/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-4539940/v1","draftVersion":[],"editorialEvents":[{"content":"https://doi.org/10.1038/s41598-024-73267-1","type":"published","date":"2025-01-11T15:57:43+00:00"}],"editorialNote":"","failedWorkflow":false,"files":[{"id":73694004,"identity":"0c7a4944-81da-4c8c-9444-f4849b53fdf0","added_by":"auto","created_at":"2025-01-13 16:10:23","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":6084307,"visible":true,"origin":"","legend":"","description":"","filename":"mainv2.pdf","url":"https://assets-eu.researchsquare.com/files/rs-4539940/v1_covered_d25ebda9-a2b4-404a-a519-c87e6728c68c.pdf"},{"id":58987955,"identity":"afa668bd-39b3-4c7f-9771-1fefe225ba41","added_by":"auto","created_at":"2024-06-25 04:17:36","extension":"zip","order_by":0,"title":"","display":"","copyAsset":false,"role":"supplement","size":1155366,"visible":true,"origin":"","legend":"","description":"","filename":"supplementaryv2.zip","url":"https://assets-eu.researchsquare.com/files/rs-4539940/v1/aa637f48262d3fcc030fb2bc.zip"}],"financialInterests":"No competing interests reported.","formattedTitle":"Phase transitions, Dirac and WSM states in Mn1−xGexBi2Te4","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"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":"scientific-reports","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"scirep","sideBox":"Learn more about [Scientific Reports](http://www.nature.com/srep/)","snPcode":"","submissionUrl":"","title":"Scientific Reports","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Scientific Reports","inReviewEnabled":true,"inReviewRevisionsEnabled":true},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-4539940/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-4539940/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental andtheoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energyband gap at the Dirac point (DP) for topological insulator (TI) Mn1−xGexBi2Te4 have been carried out with gradual replacementof magnetic Mn atoms by non-magnetic Ge atoms when concentration of the latter was varied from 10% to 75%. It was shownthat when Ge concentration increases then the bulk band gap decreases and reaches zero plateau in the concentration range of45%–60% while non-topological surface states (TSS) are present and exhibit an energy splitting of 100 and 70 meV in differenttypes of measurements. It was also shown that TSS disappear from the measured band dispersions at a Ge concentrationof about 40%. DFT calculations of Mn1−xGexBi2Te4 band structure were carried out to identify the nature of observed banddispersion features and to analyze a possibility of magnetic Weyl semimetal state formation in this system. These calculationswere performed for both antiferromagnetic (AFM) and ferromagnetic (FM) ordering types while the spin-orbit coupling (SOC)strength was varied or a strain (compression or tension) along the c-axis was applied. Calculations show that two differentseries of topological phase transitions (TPTs) may be implemented in this system depending on the magnetic ordering. At AFMordering transition between TI and trivial insulator phase goes through the Dirac semimetal state, whereas for FM phase suchroute admits three intermediate states instead of one (TI — Dirac semimetal — Weyl semimetal — Dirac semimetal — trivialinsulator). Weyl points that form in FM system along the ΓZ direction annihilate when either the SOC strength decreases or asufficient tensile strain is applied, which is accompanied by the corresponding TPTs. Model calculations of local magneticordering influence in AFM Mn1−xGexBi2Te4 was carried out by alternating Mn layers and Ge-doped layers and showed that themagnetic Weyl semimetal state in this system is reachable at a Ge concentration of approximately 40% without application ofany external magnetic fields","manuscriptTitle":"Phase transitions, Dirac and WSM states in Mn1−xGexBi2Te4","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-06-25 04:17:31","doi":"10.21203/rs.3.rs-4539940/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2024-07-19T04:28:52+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2024-07-10T18:35:21+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2024-06-24T13:40:53+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"140705270636472786969428941184122512296","date":"2024-06-17T17:05:21+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"334674243800391678473843987834863762412","date":"2024-06-16T08:12:14+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2024-06-11T08:19:51+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2024-06-11T07:32:24+00:00","index":"","fulltext":""},{"type":"editorInvited","content":"","date":"2024-06-11T02:31:26+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2024-06-10T04:16:36+00:00","index":"","fulltext":""},{"type":"submitted","content":"Scientific Reports","date":"2024-06-06T11:11:59+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"scientific-reports","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"scirep","sideBox":"Learn more about [Scientific Reports](http://www.nature.com/srep/)","snPcode":"","submissionUrl":"","title":"Scientific Reports","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Scientific Reports","inReviewEnabled":true,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"eed96675-1a98-45a9-b951-5f662ba7b2a2","owner":[],"postedDate":"June 25th, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[{"id":33659673,"name":"Physical sciences/Materials science/Condensed matter physics"},{"id":33659674,"name":"Physical sciences/Materials science/Nanoscale materials"}],"tags":[],"updatedAt":"2025-01-13T16:02:55+00:00","versionOfRecord":{"articleIdentity":"rs-4539940","link":"https://doi.org/10.1038/s41598-024-73267-1","journal":{"identity":"scientific-reports","isVorOnly":false,"title":"Scientific Reports"},"publishedOn":"2025-01-11 15:57:43","publishedOnDateReadable":"January 11th, 2025"},"versionCreatedAt":"2024-06-25 04:17:31","video":"","vorDoi":"10.1038/s41598-024-73267-1","vorDoiUrl":"https://doi.org/10.1038/s41598-024-73267-1","workflowStages":[]},"version":"v1","identity":"rs-4539940","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-4539940","identity":"rs-4539940","version":["v1"]},"buildId":"qtupq5eGEP_6zYnWcrvyt","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}