Controllable topological quantum phase transitions in magnetic material FeBi2Te4

Controllable topological quantum phase transitions in magnetic material FeBi2Te4 | 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 Controllable topological quantum phase transitions in magnetic material FeBi 2 Te 4 Jian-Min Zhang, Wen-Ti Guo, Ningjing Yang, Zhigao Huang This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-2218950/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 Here, we report a new intrinsic magnetic topological insulator FeBi 2 Te 4 based on first-principles calculations and it can achieve a rich topological phase under pressure modulation. In the absence of pressure, we predict that both FeBi 2 Te 4 ferromagnetic and antiferromagnetic orders are non-trivial topological insulators. Furthermore, FeBi 2 Te 4 of FM-z ordering will undergo a series of phase transitions from topological insulator to semimetals and then to trivial insulator under pressure. Finally, we further clarify and verify the fact of topological phase transitions in conjunction with low-energy effective model calculations. This topological phase transition process is attributed to the synergy of the magnetic moment and the spin-orbit coupling. The unique topological properties of FeBi 2 Te 4 will be of great interest in driving the development of quantum effects. Physical sciences/Materials science/Condensed-matter physics/Topological matter/Topological insulators Physical sciences/Materials science/Condensed-matter physics/Magnetic properties and materials Physical sciences/Materials science/Condensed-matter physics/Phase transitions and critical phenomena Physical sciences/Materials science/Condensed-matter physics/Electronic properties and materials Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Supplementaryinformation.doc 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. 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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-2218950","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":158709707,"identity":"dc932ae5-cafc-4e19-a4cf-10f13cff8231","order_by":0,"name":"Jian-Min Zhang","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA2klEQVRIie3RsQrCMBSF4VuEdom4poj2FSwFEfoyCYJZ1NlBS6ZMETeXvoibASEu0dnRyU1wdVDU1rnNKJh/OUs+uBAAl+sH8zj4n+0GXH22YU8SpGzJu4JQWQgb0ljvL+f7ZsGkd9AYZinlwUFVH5YTFi/NfiLhOMJgGOVoSuqIxk2hJ1swfeyJHeUY9WoIFeFDaIYK8rQiQ7/dFHNSEm5FRn67I1QswSQDolki0LiaxDm7hFeRRQib+HSbp51VYGoIL2YHgBUAge83VRWVkwG0eN1bl8vl+tdepetFV34kvdAAAAAASUVORK5CYII=","orcid":"https://orcid.org/0000-0002-0356-5387","institution":"Fujian Normal University","correspondingAuthor":true,"submittingAuthor":false,"prefix":"","firstName":"Jian-Min","middleName":"","lastName":"Zhang","suffix":""},{"id":158709708,"identity":"30cf75b0-44d6-4a4f-92eb-e153c9af7610","order_by":1,"name":"Wen-Ti Guo","email":"","orcid":"https://orcid.org/0000-0003-0016-8930","institution":"","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Wen-Ti","middleName":"","lastName":"Guo","suffix":""},{"id":158709709,"identity":"fdb44263-a314-43c9-8da7-3a6189e58787","order_by":2,"name":"Ningjing Yang","email":"","orcid":"","institution":"Kunming University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Ningjing","middleName":"","lastName":"Yang","suffix":""},{"id":158709710,"identity":"20a1d15d-f65d-46b6-8341-65ad4cc6b95a","order_by":3,"name":"Zhigao Huang","email":"","orcid":"","institution":"Fujian Normal University","correspondingAuthor":false,"submittingAuthor":false,"prefix":"","firstName":"Zhigao","middleName":"","lastName":"Huang","suffix":""}],"badges":[],"createdAt":"2022-10-30 15:21:40","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-2218950/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-2218950/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":30287971,"identity":"fc306f4c-b823-4f28-94e5-744d9e760610","added_by":"auto","created_at":"2022-12-13 23:12:35","extension":"png","order_by":1,"title":"Figure 1","display":"","copyAsset":false,"role":"figure","size":233931,"visible":true,"origin":"","legend":"\u003cp\u003eCrystal structures and energies of FeBi2Te4 in different orders. Crystal structures of bulk FeBi2Te4 (a) FM ordering and (b) A-type AFM ordering. (c) The First Brillouin zone with (001) and (110) planes. (d) Comparison of the global band gap of the bulk FeBi2Te4 for different magnetic orders (FM, AFM and NM) with and without SOC, where the magnetic moment orientations [001] and [100] are calculated when SOC effects are considered. The direct band gap and indirect band gap are marked with D and I respectively in parentheses. (e) The relative energies of FM and AFM magnetic orders ΔEFM−AFM, where positive values indicate lower energy in the AFM order. To visualize the energy difference values close to 0 (like EuBi2Te4), we break the axes at certain positions. We considered AFM orders in both [100] and [001] directions, while the AFM states of the cited references a[5] and b[46] are along the [001] direction.\u003c/p\u003e","description":"","filename":"1.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/c026cfffa0cde634501aff39.png"},{"id":30287973,"identity":"fadfdd58-e7d0-4eab-a7c6-0ca32c1ad4bd","added_by":"auto","created_at":"2022-12-13 23:12:35","extension":"png","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":237500,"visible":true,"origin":"","legend":"\u003cp\u003eBand structures of FeBi2Te4 in AFM order. (a) Bulk band structure and (b) projected band structure of AFM order FeBi2Te4 without SOC. Projected band structures of (c) AFM-z and (d) AFM-x orders. The black and green lines in the projected band structure indicate the global band gap and the local band gap at Γ, respectively, and in addition, the global band gap size is visualized by the yellow shading.\u003c/p\u003e","description":"","filename":"2.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/66dae3a417d7605b74241899.png"},{"id":30287420,"identity":"0e6da138-f099-43d3-be7d-947e8886dabc","added_by":"auto","created_at":"2022-12-13 23:04:35","extension":"png","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":314966,"visible":true,"origin":"","legend":"\u003cp\u003eTopological properties of AFM-z and AFM-x orders FeBi2Te4. WCC calculation results for two configurations considering SOC for (a) AFM-z and (b) AFM-x. Topological surface states in (110) termination of (c) AFM-z and (d) AFM-x orders.\u003c/p\u003e","description":"","filename":"3.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/8705519cf8f5f8493a95219b.png"},{"id":30287418,"identity":"eb1ae69d-ed88-4f77-a212-51e8ff031378","added_by":"auto","created_at":"2022-12-13 23:04:35","extension":"png","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":132313,"visible":true,"origin":"","legend":"\u003cp\u003ePressure induced a series of topological phase transitions in FM-z order FeBi2Te4. (a) FeBi2Te4 of the FM order undergoes multiple phase transitions under pressure: topological insulators, Dirac semimetal, type-I Weyl semimetals, type-II Weyl semimetals, and ordinary insulators. The upper panel shows the band structure of each phase at different pressures, and the lower panel shows the corresponding phase transition results. Where δDSM c = −0.34 GPa, δWeyl c = −0.6 GPa, and δTI c = −0.85 GPa all represent the transition pressure of phase change. (b) The curves of SOC of Bi ions (take the quotient of the system containing pressure and the absence of pressure) and the magnetic moment of Fe ion along the z-direction as a function of pressure. Different color regions visually show different topological phases.\u003c/p\u003e","description":"","filename":"4.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/57f460b7b3dfb03c0851dd9e.png"},{"id":30288314,"identity":"5da69f68-2112-4830-b44a-333618705d29","added_by":"auto","created_at":"2022-12-13 23:20:35","extension":"png","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":266424,"visible":true,"origin":"","legend":"\u003cp\u003eThe existence of the type-II Weyl semimetal phase. (a) Band structure of FM-z order under -0.5 GPa pressure, where the zoom-in diagram demonstrates the Weyl point W. (b) Topological surface states in (110) termination and (c) the motion of the sum of WCCs on a small sphere centered at W (C=1) and W’ (C=-1) in momentum space. (d) Fermi arc (on the isoenergy plane of the Weyl points) of FM-z order under -0.5 GPa pressure.\u003c/p\u003e","description":"","filename":"5.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/69e9e7caad78fd23be7deed0.png"},{"id":30287972,"identity":"b9613073-0a80-4be7-a6a9-94c9b6951aeb","added_by":"auto","created_at":"2022-12-13 23:12:35","extension":"png","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":336241,"visible":true,"origin":"","legend":"\u003cp\u003eComparison of topological properties of FM-z FeBi2Te4 with or without pressure. (a)/(c) Topological surface states in (001) termination and (b)/(d) spin textures (on the isoenergy plane of the Weyl points) of FM-z order at the absence of pressure or under -0.5 GPa pressure. The zoom-in diagram in (c) is shows a gapped topological surface state.\u003c/p\u003e","description":"","filename":"6.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/64b7feb83002305151f275e7.png"},{"id":30287424,"identity":"e74da420-e1d0-4aa4-b0c9-85fca5a665c2","added_by":"auto","created_at":"2022-12-13 23:04:35","extension":"png","order_by":7,"title":"Figure 7","display":"","copyAsset":false,"role":"figure","size":489210,"visible":true,"origin":"","legend":"\u003cp\u003eLow-energy effective model confirms topological quantum phase transition. (a) Schematic of FM Weyl semimetal from NM insulator. As M1,2 increases, a pair of Weyl points is generated. (b) Schematic diagram of the band inversion at Γ. (c) Schematic diagram of the phase transition for SOC reduction.\u003c/p\u003e","description":"","filename":"7.png","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/92e6496a536c7b0c999a94fa.png"},{"id":32539849,"identity":"00f60f5c-cbd9-481d-ba0d-0a325d0a3a05","added_by":"auto","created_at":"2023-02-06 16:17:27","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":705024,"visible":true,"origin":"","legend":"","description":"","filename":"snarticle.pdf","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1_covered.pdf"},{"id":30287425,"identity":"f7a1630e-ad7b-4801-ab5a-f68469e4a945","added_by":"auto","created_at":"2022-12-13 23:04:35","extension":"pdf","order_by":7,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":384434,"visible":true,"origin":"","legend":"","description":"","filename":"snarticle.pdf","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/838984fe9754c660598c7ff5.pdf"},{"id":30287426,"identity":"553ae209-41e0-4fb9-8e7c-1510057f3d44","added_by":"auto","created_at":"2022-12-13 23:04:35","extension":"doc","order_by":1,"title":"","display":"","copyAsset":false,"role":"supplement","size":7175680,"visible":true,"origin":"","legend":"\u003cp\u003e\u003cbr\u003e\u003c/p\u003e","description":"","filename":"Supplementaryinformation.doc","url":"https://assets-eu.researchsquare.com/files/rs-2218950/v1/0257a2d3c710d0518a9086ad.doc"}],"financialInterests":"There is \u003cb\u003eNO\u003c/b\u003e Competing Interest.","formattedTitle":"Controllable topological quantum phase transitions in magnetic material FeBi\u003csub\u003e2\u003c/sub\u003eTe\u003csub\u003e4\u003c/sub\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"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":"","lastPublishedDoi":"10.21203/rs.3.rs-2218950/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-2218950/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Here, we report a new intrinsic magnetic topological insulator FeBi\u003csub\u003e2\u003c/sub\u003eTe\u003csub\u003e4\u003c/sub\u003e based on first-principles calculations and it can achieve a rich topological phase under pressure modulation. In the absence of pressure, we predict that both FeBi\u003csub\u003e2\u003c/sub\u003eTe\u003csub\u003e4\u003c/sub\u003e ferromagnetic and antiferromagnetic orders are non-trivial topological insulators. Furthermore, FeBi\u003csub\u003e2\u003c/sub\u003eTe\u003csub\u003e4\u003c/sub\u003e of FM-z ordering will undergo a series of phase transitions from topological insulator to semimetals and then to trivial insulator under pressure. Finally, we further clarify and verify the fact of topological phase transitions in conjunction with low-energy effective model calculations. This topological phase transition process is attributed to the synergy of the magnetic moment and the spin-orbit coupling. The unique topological properties of FeBi\u003csub\u003e2\u003c/sub\u003eTe\u003csub\u003e4\u003c/sub\u003e will be of great interest in driving the development of quantum effects.","manuscriptTitle":"Controllable topological quantum phase transitions in magnetic material FeBi2Te4","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2022-12-13 23:04:30","doi":"10.21203/rs.3.rs-2218950/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":"8f2bf689-0d1e-4e2e-bdb5-ebaf9479342d","owner":[],"postedDate":"December 13th, 2022","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[{"id":17579224,"name":"Physical sciences/Materials science/Condensed-matter physics/Topological matter/Topological insulators"},{"id":17579225,"name":"Physical sciences/Materials science/Condensed-matter physics/Magnetic properties and materials"},{"id":17579226,"name":"Physical sciences/Materials science/Condensed-matter physics/Phase transitions and critical phenomena"},{"id":17579227,"name":"Physical sciences/Materials science/Condensed-matter physics/Electronic properties and materials"}],"tags":[],"updatedAt":"2023-02-06T16:17:13+00:00","versionOfRecord":[],"versionCreatedAt":"2022-12-13 23:04:30","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-2218950","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-2218950","identity":"rs-2218950","version":["v1"]},"buildId":"ApUGefWb6u5IBVtyqm6d5","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}