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Optimal parameter space for stabilizing the ferroelectric phase of Hf0.5Zr0.5O2 thin films under strain and electric fields |
| Lvjin Wang(王侣锦)1,2,†, Cong Wang(王聪)1,2,†, Linwei Zhou(周霖蔚)1,2, Xieyu Zhou(周谐宇)1,2, Yuhao Pan(潘宇浩)1,2, Xing Wu(吴幸)3,‡, and Wei Ji(季威)1,2,§ |
1 Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-Nano Devices, Department of Physics, Renmin University of China, Beijing 100872, China;
2 Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education), Renmin University of China, Beijing 100872, China;
3 In Situ Devices Center, School of Integrated Circuits, East China Normal University, Shanghai 200241, China |
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Abstract Hafnia-based ferroelectric materials, like Hf$_{0.5}$Zr$_{0.5}$O$_{2}$ (HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of (111) surfaces, compressive $c$-axis strain, and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.
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Received: 25 January 2024
Revised: 18 April 2024
Accepted manuscript online: 10 May 2024
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PACS:
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68.65.-k
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(Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)
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77.80.-e
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(Ferroelectricity and antiferroelectricity)
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85.50.-n
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(Dielectric, ferroelectric, and piezoelectric devices)
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| Fund: Project supported by the Fund from the Ministry of Science and Technology (MOST) of China (Grant No. 2018YFE0202700), the National Natural Science Foundation of China (Grant Nos. 11974422 and 12104504), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB30000000), the Fundamental Research Funds for the Central Universities, and the Research Funds of Renmin University of China (Grant No. 22XNKJ30). |
Corresponding Authors:
Xing Wu, Wei Ji
E-mail: xwu@cee.ecnu.edu.cn;wji@ruc.edu.cn
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Cite this article:
Lvjin Wang(王侣锦), Cong Wang(王聪), Linwei Zhou(周霖蔚), Xieyu Zhou(周谐宇), Yuhao Pan(潘宇浩), Xing Wu(吴幸), and Wei Ji(季威) Optimal parameter space for stabilizing the ferroelectric phase of Hf0.5Zr0.5O2 thin films under strain and electric fields 2024 Chin. Phys. B 33 076803
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