Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films

Abstract The polarization of HfO2-based ferroelectrics originates from the metastable orthorhombic phase formed during the tetragonal to monoclinic phase transition and is typically controlled by tuning the phase content. However, another way to control polarization via modulating ferroelectric doma...

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Main Authors: Yuyan Fan, Shunda Zhang, Zhipeng Xue, Yulong Dong, Danyang Chen, Jiahui Zhang, Jingquan Liu, Mengwei Si, Chunlai Luo, Wenwu Li, Junhao Chu, Yanwei Cao, Zhen Wang, Xiuyan Li
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-59519-2
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author Yuyan Fan
Shunda Zhang
Zhipeng Xue
Yulong Dong
Danyang Chen
Jiahui Zhang
Jingquan Liu
Mengwei Si
Chunlai Luo
Wenwu Li
Junhao Chu
Yanwei Cao
Zhen Wang
Xiuyan Li
author_facet Yuyan Fan
Shunda Zhang
Zhipeng Xue
Yulong Dong
Danyang Chen
Jiahui Zhang
Jingquan Liu
Mengwei Si
Chunlai Luo
Wenwu Li
Junhao Chu
Yanwei Cao
Zhen Wang
Xiuyan Li
author_sort Yuyan Fan
collection DOAJ
description Abstract The polarization of HfO2-based ferroelectrics originates from the metastable orthorhombic phase formed during the tetragonal to monoclinic phase transition and is typically controlled by tuning the phase content. However, another way to control polarization via modulating ferroelectric domain orientations remains underexplored. This work uncovers a hidden tetragonal-orthorhombic phase transition pathway to engineer domain orientations and further polarization in polycrystalline Hf0.5Zr0.5O2 using single-crystalline TiN substrates. Specifically, (001)O and/or (010)O domains, which fully contribute to remanent polarization under an electric field, are controllable in Hf0.5Zr0.5O2 on TiN (001) and (111), enhancing remanent polarization compared to that on TiN (110). The key is the hidden transition from the tetragonal phase’s longest c-axis to the orthorhombic phase’s shorter b O /c O -axis, alongside the reported one to the longest a O -axis, assisted by periodic dislocations at the TiN/Hf0.5Zr0.5O2 interface. These findings shed light on governing the polarization of Hf0.5Zr0.5O2 films by controlling the interface dislocations and further domain orientations.
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spelling doaj-art-1d417937e358444ea417939093f33a2e2025-08-20T03:09:20ZengNature PortfolioNature Communications2041-17232025-05-011611910.1038/s41467-025-59519-2Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 filmsYuyan Fan0Shunda Zhang1Zhipeng Xue2Yulong Dong3Danyang Chen4Jiahui Zhang5Jingquan Liu6Mengwei Si7Chunlai Luo8Wenwu Li9Junhao Chu10Yanwei Cao11Zhen Wang12Xiuyan Li13National Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityNingbo Institute of Materials Technology and Engineering, Chinese Academy of SciencesNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityNingbo Institute of Materials Technology and Engineering, Chinese Academy of SciencesNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityShanghai Frontiers Science Research Base of Intelligent Optoelectronics and Perception, Institute of Optoelectronics, Department of Materials Science, Fudan UniversityShanghai Frontiers Science Research Base of Intelligent Optoelectronics and Perception, Institute of Optoelectronics, Department of Materials Science, Fudan UniversityShanghai Frontiers Science Research Base of Intelligent Optoelectronics and Perception, Institute of Optoelectronics, Department of Materials Science, Fudan UniversityNingbo Institute of Materials Technology and Engineering, Chinese Academy of SciencesDepartment of Physics, University of Science and Technology of ChinaNational Key Lab of Micro/Nano Fabrication Technology, School of Integrated Circuits, Shanghai Jiao Tong UniversityAbstract The polarization of HfO2-based ferroelectrics originates from the metastable orthorhombic phase formed during the tetragonal to monoclinic phase transition and is typically controlled by tuning the phase content. However, another way to control polarization via modulating ferroelectric domain orientations remains underexplored. This work uncovers a hidden tetragonal-orthorhombic phase transition pathway to engineer domain orientations and further polarization in polycrystalline Hf0.5Zr0.5O2 using single-crystalline TiN substrates. Specifically, (001)O and/or (010)O domains, which fully contribute to remanent polarization under an electric field, are controllable in Hf0.5Zr0.5O2 on TiN (001) and (111), enhancing remanent polarization compared to that on TiN (110). The key is the hidden transition from the tetragonal phase’s longest c-axis to the orthorhombic phase’s shorter b O /c O -axis, alongside the reported one to the longest a O -axis, assisted by periodic dislocations at the TiN/Hf0.5Zr0.5O2 interface. These findings shed light on governing the polarization of Hf0.5Zr0.5O2 films by controlling the interface dislocations and further domain orientations.https://doi.org/10.1038/s41467-025-59519-2
spellingShingle Yuyan Fan
Shunda Zhang
Zhipeng Xue
Yulong Dong
Danyang Chen
Jiahui Zhang
Jingquan Liu
Mengwei Si
Chunlai Luo
Wenwu Li
Junhao Chu
Yanwei Cao
Zhen Wang
Xiuyan Li
Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
Nature Communications
title Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
title_full Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
title_fullStr Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
title_full_unstemmed Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
title_short Hidden structural phase transition assisted ferroelectric domain orientation engineering in Hf0.5Zr0.5O2 films
title_sort hidden structural phase transition assisted ferroelectric domain orientation engineering in hf0 5zr0 5o2 films
url https://doi.org/10.1038/s41467-025-59519-2
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