Oxygen migration around the filament region in HfOx memristors
The exact composition and structure of conductive filaments in hafnia-based memristors are still not fully understood, but recent theoretical investigations reveal that hexagonal HfOx phases close to the h.c.p. Hf structure are probable filament candidates. In this work we list h.c.p. Hf, Hf6O, Hf3O...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5122989 |
| _version_ | 1818419492881956864 |
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| author | Ge-Qi Mao Kan-Hao Xue Ya-Qian Song Wei Wu Jun-Hui Yuan Li-Heng Li Huajun Sun Shibing Long Xiang-Shui Miao |
| author_facet | Ge-Qi Mao Kan-Hao Xue Ya-Qian Song Wei Wu Jun-Hui Yuan Li-Heng Li Huajun Sun Shibing Long Xiang-Shui Miao |
| author_sort | Ge-Qi Mao |
| collection | DOAJ |
| description | The exact composition and structure of conductive filaments in hafnia-based memristors are still not fully understood, but recent theoretical investigations reveal that hexagonal HfOx phases close to the h.c.p. Hf structure are probable filament candidates. In this work we list h.c.p. Hf, Hf6O, Hf3O and Hf2O as possible phases for the filament in hafnia memristors. Their differences in lattice parameters, electronic structures and O charge states are studied in details. Migration of O ions for both in-plane and out-of-plane directions in these phases is investigated using first-principles calculations. Both single-phase supercells and filament-in-dielectric models are used for migration barrier calculations, while the latter is proven to be more accurate for the c-direction. The migration of O ions is fastest in metal Hf, while slowest in Hf2O. The existence of O interstitials in Hf tends to hinder the transport of O. |
| first_indexed | 2024-12-14T12:39:26Z |
| format | Article |
| id | doaj.art-f8ebfcff8fa944fb92d95dd9888c556d |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-14T12:39:26Z |
| publishDate | 2019-10-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-f8ebfcff8fa944fb92d95dd9888c556d2022-12-21T23:00:57ZengAIP Publishing LLCAIP Advances2158-32262019-10-01910105007105007-910.1063/1.5122989007910ADVOxygen migration around the filament region in HfOx memristorsGe-Qi Mao0Kan-Hao Xue1Ya-Qian Song2Wei Wu3Jun-Hui Yuan4Li-Heng Li5Huajun Sun6Shibing Long7Xiang-Shui Miao8Wuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaSchool of Microelectronics, University of Science and Technology of China, Hefei 230026, Anhui, ChinaWuhan National Laboratory for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, Hubei, ChinaThe exact composition and structure of conductive filaments in hafnia-based memristors are still not fully understood, but recent theoretical investigations reveal that hexagonal HfOx phases close to the h.c.p. Hf structure are probable filament candidates. In this work we list h.c.p. Hf, Hf6O, Hf3O and Hf2O as possible phases for the filament in hafnia memristors. Their differences in lattice parameters, electronic structures and O charge states are studied in details. Migration of O ions for both in-plane and out-of-plane directions in these phases is investigated using first-principles calculations. Both single-phase supercells and filament-in-dielectric models are used for migration barrier calculations, while the latter is proven to be more accurate for the c-direction. The migration of O ions is fastest in metal Hf, while slowest in Hf2O. The existence of O interstitials in Hf tends to hinder the transport of O.http://dx.doi.org/10.1063/1.5122989 |
| spellingShingle | Ge-Qi Mao Kan-Hao Xue Ya-Qian Song Wei Wu Jun-Hui Yuan Li-Heng Li Huajun Sun Shibing Long Xiang-Shui Miao Oxygen migration around the filament region in HfOx memristors AIP Advances |
| title | Oxygen migration around the filament region in HfOx memristors |
| title_full | Oxygen migration around the filament region in HfOx memristors |
| title_fullStr | Oxygen migration around the filament region in HfOx memristors |
| title_full_unstemmed | Oxygen migration around the filament region in HfOx memristors |
| title_short | Oxygen migration around the filament region in HfOx memristors |
| title_sort | oxygen migration around the filament region in hfox memristors |
| url | http://dx.doi.org/10.1063/1.5122989 |
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