تقرير
The photoinduced hidden metallic phase of monoclinic VO2 driven by local nucleation via a self-amplification process
| العنوان: | The photoinduced hidden metallic phase of monoclinic VO2 driven by local nucleation via a self-amplification process |
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| المؤلفون: | Guo, Feng-Wu, Liu, Wen-Hao, Wang, Zhi, Li, Shu-Shen, Wang, Lin-Wang, Luo, Jun-Wei |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Computational Physics |
| الوصف: | The insulator-to-metal transition (IMT) in vanadium dioxide (VO2) has garnered extensive attention for its potential applications in ultrafast switches, neuronal network architectures, and storage technologies. However, a significant controversy persists regarding the formation of the IMT, specifically concerning whether a complete structural phase transition from monoclinic (M1) to rutile (R) phase is necessary. Here we employ the real-time time-dependent density functional theory (rt-TDDFT) to track the dynamic evolution of atomic and electronic structures in photoexcited VO2, revealing the emergence of a long-lived monoclinic metal phase (MM) 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 a pure electron-electron correction. On the other hand, the M1-to-R phase transition does appear at higher electronic excitation. Our findings validate the existence of MM phase and provide a comprehensive picture of the IMT in photoexcited VO2. Comment: 34 pages, 18 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2404.07693 |
| رقم الأكسشن: | edsarx.2404.07693 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |