Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6
Abstract CuInP2S6 (CIPS) is an emerging 2D ferroelectric material known for disrupting spatial inversion symmetry due to Cu(I) position switching. Its ferroelectricity strongly relies on the Cu(I) atom/ion occupation ordering and dynamics. Nevertheless, the accurate Cu(I) occupations and correlated...
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Nature Portfolio
2024-11-01
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| Online Access: | https://doi.org/10.1038/s41467-024-54229-7 |
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| author | Changjin Guo Jiajun Zhu Xiali Liang Caifu Wen Jiyang Xie Chengding Gu Wanbiao Hu |
| author_facet | Changjin Guo Jiajun Zhu Xiali Liang Caifu Wen Jiyang Xie Chengding Gu Wanbiao Hu |
| author_sort | Changjin Guo |
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| description | Abstract CuInP2S6 (CIPS) is an emerging 2D ferroelectric material known for disrupting spatial inversion symmetry due to Cu(I) position switching. Its ferroelectricity strongly relies on the Cu(I) atom/ion occupation ordering and dynamics. Nevertheless, the accurate Cu(I) occupations and correlated migration dynamics under the externally applied energy, which are key to unlocking ferroelectric properties, remain controversial and unresolved. Herein, an atomic-level direct imaging through aberration-corrected scanning transmission electron microscopy is performed to precisely trace the Cu(I) dynamic behaviours under electron-beam irradiation along (100)-CIPS. It clearly demonstrates that Cu(I) possesses multiple occupations, and Cu(I) could migrate to the lattice, vacancy, interstitial and interlayer sites between the InS6 octahedral skeletons of CIPS to form local Cu x InP2S6 (x = 2-4) structure. Cu(I) multi-occupations induced lattice stress results in a layer sliding along the b-axis direction generating a sliding size of 1/6 b lattice constant. The Cu x InP2S6 (x = 2-4) exists in a type of dynamic structure, only metastable with electron dose over 50 e− Å−2, thus generating a dynamic process of $${\mbox{C}}{{\mbox{u}}}_{x}{\mbox{In}}{{\mbox{P}}}_{2}{{\mbox{S}}}_{6}(x=2-4)\rightleftharpoons {\mbox{CuIn}}{{\mbox{P}}}_{2}{{\mbox{S}}}_{6}$$ C u x In P 2 S 6 ( x = 2 − 4 ) ⇌ CuIn P 2 S 6 , a completely unreported phenomenon. These findings shed light on the unveiled mechanism underlying Cu(I) migration in CIPS, providing crucial insights into the fundamental processes that govern its ferroelectric properties. |
| format | Article |
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| language | English |
| publishDate | 2024-11-01 |
| publisher | Nature Portfolio |
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| spelling | doaj-art-d7d1cf92cec5458a97685df57ea7c4ea2025-08-20T02:22:24ZengNature PortfolioNature Communications2041-17232024-11-011511810.1038/s41467-024-54229-7Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6Changjin Guo0Jiajun Zhu1Xiali Liang2Caifu Wen3Jiyang Xie4Chengding Gu5Wanbiao Hu6Yunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan UniversityAbstract CuInP2S6 (CIPS) is an emerging 2D ferroelectric material known for disrupting spatial inversion symmetry due to Cu(I) position switching. Its ferroelectricity strongly relies on the Cu(I) atom/ion occupation ordering and dynamics. Nevertheless, the accurate Cu(I) occupations and correlated migration dynamics under the externally applied energy, which are key to unlocking ferroelectric properties, remain controversial and unresolved. Herein, an atomic-level direct imaging through aberration-corrected scanning transmission electron microscopy is performed to precisely trace the Cu(I) dynamic behaviours under electron-beam irradiation along (100)-CIPS. It clearly demonstrates that Cu(I) possesses multiple occupations, and Cu(I) could migrate to the lattice, vacancy, interstitial and interlayer sites between the InS6 octahedral skeletons of CIPS to form local Cu x InP2S6 (x = 2-4) structure. Cu(I) multi-occupations induced lattice stress results in a layer sliding along the b-axis direction generating a sliding size of 1/6 b lattice constant. The Cu x InP2S6 (x = 2-4) exists in a type of dynamic structure, only metastable with electron dose over 50 e− Å−2, thus generating a dynamic process of $${\mbox{C}}{{\mbox{u}}}_{x}{\mbox{In}}{{\mbox{P}}}_{2}{{\mbox{S}}}_{6}(x=2-4)\rightleftharpoons {\mbox{CuIn}}{{\mbox{P}}}_{2}{{\mbox{S}}}_{6}$$ C u x In P 2 S 6 ( x = 2 − 4 ) ⇌ CuIn P 2 S 6 , a completely unreported phenomenon. These findings shed light on the unveiled mechanism underlying Cu(I) migration in CIPS, providing crucial insights into the fundamental processes that govern its ferroelectric properties.https://doi.org/10.1038/s41467-024-54229-7 |
| spellingShingle | Changjin Guo Jiajun Zhu Xiali Liang Caifu Wen Jiyang Xie Chengding Gu Wanbiao Hu Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 Nature Communications |
| title | Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 |
| title_full | Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 |
| title_fullStr | Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 |
| title_full_unstemmed | Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 |
| title_short | Atomic-level direct imaging for Cu(I) multiple occupations and migration in 2D ferroelectric CuInP2S6 |
| title_sort | atomic level direct imaging for cu i multiple occupations and migration in 2d ferroelectric cuinp2s6 |
| url | https://doi.org/10.1038/s41467-024-54229-7 |
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