Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
Abstract The insulator-to-metal transition in VO2 has garnered extensive attention for its potential applications in ultrafast switches, neuronal network architectures, and storage technologies. However, the photoinduced insulator-to-metal transition remains controversial, especially whether a compl...
Saved in:
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-01-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-024-55760-3 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841559308619218944 |
|---|---|
| author | Feng-Wu Guo Wen-Hao Liu Zhi Wang Shu-Shen Li Lin-Wang Wang Jun-Wei Luo |
| author_facet | Feng-Wu Guo Wen-Hao Liu Zhi Wang Shu-Shen Li Lin-Wang Wang Jun-Wei Luo |
| author_sort | Feng-Wu Guo |
| collection | DOAJ |
| description | Abstract The insulator-to-metal transition in VO2 has garnered extensive attention for its potential applications in ultrafast switches, neuronal network architectures, and storage technologies. However, the photoinduced insulator-to-metal transition remains controversial, especially whether a complete structural transformation from the monoclinic to rutile phase is necessary. Here we employ the real-time time-dependent density functional theory to track the dynamic evolution of atomic and electronic structures in photoexcited VO2, revealing the emergence of a long-lived monoclinic metal phase under low electronic excitation. The emergence of the metal phase in the monoclinic structure originates from the dissociation of the local V-V dimer, driven by the self-trapped and self-amplified dynamics of photoexcited holes, rather than by an electron-electron correction. On the other hand, the monoclinic-to-rutile phase transition does appear at higher electronic excitation. Our findings validate the existence of monoclinic metal phase and provide a comprehensive picture of the insulator-to-metal transition in photoexcited VO2. |
| format | Article |
| id | doaj-art-b0761adafbe447c995e2d00cce617870 |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-b0761adafbe447c995e2d00cce6178702025-01-05T12:37:41ZengNature PortfolioNature Communications2041-17232025-01-011611810.1038/s41467-024-55760-3Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleationFeng-Wu Guo0Wen-Hao Liu1Zhi Wang2Shu-Shen Li3Lin-Wang Wang4Jun-Wei Luo5State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of SciencesAbstract The insulator-to-metal transition in VO2 has garnered extensive attention for its potential applications in ultrafast switches, neuronal network architectures, and storage technologies. However, the photoinduced insulator-to-metal transition remains controversial, especially whether a complete structural transformation from the monoclinic to rutile phase is necessary. Here we employ the real-time time-dependent density functional theory to track the dynamic evolution of atomic and electronic structures in photoexcited VO2, revealing the emergence of a long-lived monoclinic metal phase under low electronic excitation. The emergence of the metal phase in the monoclinic structure originates from the dissociation of the local V-V dimer, driven by the self-trapped and self-amplified dynamics of photoexcited holes, rather than by an electron-electron correction. On the other hand, the monoclinic-to-rutile phase transition does appear at higher electronic excitation. Our findings validate the existence of monoclinic metal phase and provide a comprehensive picture of the insulator-to-metal transition in photoexcited VO2.https://doi.org/10.1038/s41467-024-55760-3 |
| spellingShingle | Feng-Wu Guo Wen-Hao Liu Zhi Wang Shu-Shen Li Lin-Wang Wang Jun-Wei Luo Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation Nature Communications |
| title | Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation |
| title_full | Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation |
| title_fullStr | Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation |
| title_full_unstemmed | Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation |
| title_short | Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation |
| title_sort | photoinduced hidden monoclinic metallic phase of vo2 driven by local nucleation |
| url | https://doi.org/10.1038/s41467-024-55760-3 |
| work_keys_str_mv | AT fengwuguo photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation AT wenhaoliu photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation AT zhiwang photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation AT shushenli photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation AT linwangwang photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation AT junweiluo photoinducedhiddenmonoclinicmetallicphaseofvo2drivenbylocalnucleation |