Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films

The ferroelectric phase of hafnia is metastable, and its stabilization is achieved by appropriate doping and generally only in ultrathin films where the contribution of surface energy is relevant. Other factors, such as interfaces and point defects such as oxygen vacancies, can affect the formation...

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Autores: Lyu, Xueliang, Ali, Faizan, Song, Tingfeng, Fina, Ignasi, Sánchez Barrera, Florencio
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/390394
Acceso en línea:http://hdl.handle.net/10261/390394
Access Level:acceso abierto
Palabra clave:Hf0.5Zr0.5O2
Epitaxial films
Ferroelectric hafnia
Ferroelectric oxides
Hafnium oxide
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dc.title.none.fl_str_mv Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
title Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
spellingShingle Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
Lyu, Xueliang
Hf0.5Zr0.5O2
Epitaxial films
Ferroelectric hafnia
Ferroelectric oxides
Hafnium oxide
title_short Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
title_full Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
title_fullStr Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
title_full_unstemmed Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
title_sort Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 Films
dc.creator.none.fl_str_mv Lyu, Xueliang
Ali, Faizan
Song, Tingfeng
Fina, Ignasi
Sánchez Barrera, Florencio
author Lyu, Xueliang
author_facet Lyu, Xueliang
Ali, Faizan
Song, Tingfeng
Fina, Ignasi
Sánchez Barrera, Florencio
author_role author
author2 Ali, Faizan
Song, Tingfeng
Fina, Ignasi
Sánchez Barrera, Florencio
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Ministerio de Ciencia e Innovación (España)
Agencia Estatal de Investigación (España)
Generalitat de Catalunya
European Commission
China Scholarship Council
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Hf0.5Zr0.5O2
Epitaxial films
Ferroelectric hafnia
Ferroelectric oxides
Hafnium oxide
topic Hf0.5Zr0.5O2
Epitaxial films
Ferroelectric hafnia
Ferroelectric oxides
Hafnium oxide
description The ferroelectric phase of hafnia is metastable, and its stabilization is achieved by appropriate doping and generally only in ultrathin films where the contribution of surface energy is relevant. Other factors, such as interfaces and point defects such as oxygen vacancies, can affect the formation energy of competing polymorphs. Understanding the role of these factors is important to achieve further control over the stabilized phases and, thereby, improve ferroelectric polarization. To gain insight into the role of defects and stress at interfaces, we have compared a series of Hf0.5Zr0.5O2 epitaxial films of various thicknesses. The films were grown on (001) and (110) oriented SrTiO3 substrates to impose different symmetries at the interface and were deposited in a pure O2 or a mixed O2/Ar atmosphere to vary the oxidation conditions. We find that both factors are critical, with polarization maximized in films on (110)-oriented substrates and prepared under reducing conditions. Irrespective of the used substrate and atmosphere, polarization rapidly decays for thicknesses above 10 nm, indicating the relevance of the surface energy. Strain is thickness dependent, varying differently depending on the substrate orientation, but not on the deposition conditions investigated. Strain-thickness and polarization-thickness dependencies are not correlated, signaling that strain does not have a direct influence on the ferroelectricity of the films. Thickness, oxidation conditions, and epitaxial stress can contribute synergistically, and films with an optimal selection of these parameters have the ferroelectric polarization expected for pure orthorhombic phase films.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
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dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/390394
url http://hdl.handle.net/10261/390394
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ACS applied materials & interfaces
http://doi.org/10.1021/acsami.5c03527
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dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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spelling Cooperative Effects of Interface Symmetry, Redox Conditions and Low-Thickness to Improve Polarization in Ferroelectric Hf0.5Zr0.5O2 FilmsLyu, XueliangAli, FaizanSong, TingfengFina, IgnasiSánchez Barrera, FlorencioHf0.5Zr0.5O2Epitaxial filmsFerroelectric hafniaFerroelectric oxidesHafnium oxideThe ferroelectric phase of hafnia is metastable, and its stabilization is achieved by appropriate doping and generally only in ultrathin films where the contribution of surface energy is relevant. Other factors, such as interfaces and point defects such as oxygen vacancies, can affect the formation energy of competing polymorphs. Understanding the role of these factors is important to achieve further control over the stabilized phases and, thereby, improve ferroelectric polarization. To gain insight into the role of defects and stress at interfaces, we have compared a series of Hf0.5Zr0.5O2 epitaxial films of various thicknesses. The films were grown on (001) and (110) oriented SrTiO3 substrates to impose different symmetries at the interface and were deposited in a pure O2 or a mixed O2/Ar atmosphere to vary the oxidation conditions. We find that both factors are critical, with polarization maximized in films on (110)-oriented substrates and prepared under reducing conditions. Irrespective of the used substrate and atmosphere, polarization rapidly decays for thicknesses above 10 nm, indicating the relevance of the surface energy. Strain is thickness dependent, varying differently depending on the substrate orientation, but not on the deposition conditions investigated. Strain-thickness and polarization-thickness dependencies are not correlated, signaling that strain does not have a direct influence on the ferroelectricity of the films. Thickness, oxidation conditions, and epitaxial stress can contribute synergistically, and films with an optimal selection of these parameters have the ferroelectric polarization expected for pure orthorhombic phase films.Grants PID2023-147211OB-C21, Severo Ochoa (CEX2023-001263-S), PDC2023-145874-I00, PID2020-112548RB-I00, TED2021-130453B-C21, and PID2019-107727RB-I00, funded by MCIN/AEI/10.13039/501100011033 and grant 2021 SGR 00804 funded by Generalitat de Catalunya, are acknowledged. This work has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 101168161 (MASAUTO European Training Networks). X.L. and T.S. are financially supported by the China Scholarship Council (CSC) with No. 202206180011 and 201807000104, respectively. X.L.’s work has been done as a part of his Ph.D. program in Materials Science at Universitat Autònoma de Barcelona.With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2023-001263-S).Peer reviewedAmerican Chemical SocietyMinisterio de Ciencia, Innovación y Universidades (España)Ministerio de Ciencia e Innovación (España)Agencia Estatal de Investigación (España)Generalitat de CatalunyaEuropean CommissionChina Scholarship CouncilConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/390394reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2023-147211OB-C21info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001263-Sinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PDC2023-145874-I00info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-112548RB-I00info:eu-repo/grantAgreement/MICINN/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/TED2021-130453B-C21info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-107727RB-I00info:eu-repo/grantAgreement/EC/H2020/101168161ACS applied materials & interfaceshttp://doi.org/10.1021/acsami.5c03527Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3903942026-05-22T06:33:51Z
score 15,81155

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