Effect and mechanism of point charge defects on ferroelectric domain switching properties of HfO2-based ferroelectric thin film

Yang, Wanting; Pan, Junzhe; Bao, Yinzhong; Shao, Yanping; Wang, Yuanyao; Deng, Yuhui; Jiang, Jie; Yang, Qingxiang; Zhong, Xiangli; Jiang, Limei

doi:10.1016/j.commatsci.2022.111607

Computational Materials Science

2022

DOI: 10.1016/j.commatsci.2022.111607

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Effect and mechanism of point charge defects on ferroelectric domain switching properties of HfO2-based ferroelectric thin film

Wanting Yang

Junzhe Pan

Yinzhong Bao

et al.

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2023

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Phase fraction of ferroelectric Hf0.5Zr0.5O2 film regulated by the co-action of Ce doping and oxygen defects: First principles study

Tian,

Zhou,

Zhao

et al. 2023

Journal of Applied Physics

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In this work, the effects of cerium doping and oxygen defects of ferroelectric Hf0.5Zr0.5O2 (HZO) are systematically studied by first-principles calculations. According to the results, the combined effect of Ce atoms and oxygen vacancy has a significant effect on the improvement of the orthorhombic phase fraction in HZO, and the mechanism of this phenomenon is also studied. The optimal concentration of Ce doping is 9.375 formula unit%, and the optimal concentration of oxygen vacancy is 9.375 formula unit%. The interaction between Ce doping and oxygen defects is also discussed from the perspective of structural stability and electrical balance. These findings are helpful for the preparation of Ce-doped HZO ferroelectric thin films and provide experience for the study of other dopants.

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Phase fraction of ferroelectric Hf0.5Zr0.5O2 film regulated by the co-action of Ce doping and oxygen defects: First principles study

Tian,

Zhou,

Zhao

et al. 2023

Journal of Applied Physics

View full text Add to dashboard Cite

show abstract

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Effect and mechanism of point charge defects on ferroelectric domain switching properties of HfO2-based ferroelectric thin film

Cited by 1 publication

References 26 publications

Phase fraction of ferroelectric Hf0.5Zr0.5O2 film regulated by the co-action of Ce doping and oxygen defects: First principles study

Phase fraction of ferroelectric Hf0.5Zr0.5O2 film regulated by the co-action of Ce doping and oxygen defects: First principles study

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