Electric-field-induced crystallization of Hf0.5Zr0.5O2 thin film based on phase-field modeling

Electric-field-induced crystallization of Hf0.5Zr0.5O2 thin film based on phase-field modeling | 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 Electric-field-induced crystallization of Hf 0.5 Zr 0.5 O 2 thin film based on phase-field modeling Houbing Huang, Zhaobo Liu, Xiaoming Shi, Jing Wang This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3829825/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 23 May, 2024 Read the published version in npj Quantum Materials → Version 1 posted 10 You are reading this latest preprint version Abstract Ferroelectricity in crystalline hafnium oxide has attracted considerable attention because of its potential application for memory devices. A recent breakthrough involves electric-field-induced crystallization, allowing HfO 2 -based materials to avoid high-temperature crystallization, which is unexpected in the back-end-of-line process. However, due to the lack of clarity in understanding the mechanisms during the crystallization process, we aim to employ theoretical methods for simulation, to guide experimental endeavors. In this work, we extended our phase-field model by coupling the crystallization model and time-dependent Ginzburg-Landau equation to analyze the crystalline properties and the polarization evolution of Hf 0.5 Zr 0.5 O 2 thin film under applying an electric field periodic pulse. Through this approach, we found a wake-up effect during the process of crystallization and a transformation from orthorhombic nano-domains to the stripe domain. Furthermore, we have proposed an innovative artificial neural synapses concept based on the continuous polarization variation under applied electric field pulses. Our research lays the theoretical groundwork for the advancement of electric-field-induced crystallization in the hafnium oxide system. Physical sciences/Materials science/Theory and computation Physical sciences/Materials science/Condensed-matter physics/Ferroelectrics and multiferroics phase-field model hafnium zirconium oxide electric-field-induced crystallization ferroelectric artificial synapse Full Text Additional Declarations (Not answered) Supplementary Files SupplementaryInformation.docx Cite Share Download PDF Status: Published Journal Publication published 23 May, 2024 Read the published version in npj Quantum Materials → Version 1 posted Editorial decision: revise 21 Feb, 2024 Review # 1 received at journal 04 Feb, 2024 Review # 3 received at journal 02 Feb, 2024 Reviewer # 3 agreed at journal 07 Jan, 2024 Reviewer # 2 agreed at journal 07 Jan, 2024 Reviewer # 1 agreed at journal 07 Jan, 2024 Reviewers invited by journal 05 Jan, 2024 Submission checks completed at journal 03 Jan, 2024 First submitted to journal 02 Jan, 2024 Editor assigned by journal 02 Jan, 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. 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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-3829825","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":265424022,"identity":"fddfa79f-5d3c-41ff-a1bc-028102070592","order_by":0,"name":"Houbing 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A recent breakthrough involves electric-field-induced crystallization, allowing HfO\u003csub\u003e2\u003c/sub\u003e-based materials to avoid high-temperature crystallization, which is unexpected in the back-end-of-line process. However, due to the lack of clarity in understanding the mechanisms during the crystallization process, we aim to employ theoretical methods for simulation, to guide experimental endeavors. \u0026nbsp;\u0026nbsp; In this work, we extended our phase-field model by coupling the crystallization model and time-dependent Ginzburg-Landau equation to analyze the crystalline properties and the polarization evolution of Hf\u003csub\u003e0.5\u003c/sub\u003eZr\u003csub\u003e0.5\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003e thin film under applying an electric field periodic pulse. Through this approach, we found a wake-up effect during the process of crystallization and a transformation from orthorhombic nano-domains to the stripe domain. 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