Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in
Abstract
Photoinduced ultrafast phase transitions can generate quasiequilibrium states with novel emergent properties modulated by the interplay of electronic and lattice degrees of freedoms. Therefore, accurately probing transient atomic structures and their dynamics is crucial to understand and control the interaction of electrons and lattice but remains a central challenge of ultrafast science. Using MeV ultrafast electron diffraction on single crystals, we quantitatively reveal the photoinduced lattice distortion of the monoclinic M1 phase of VO2. Our results resolve previous controversies concerning decoupled distortion components, as well as a proposed M2 intermediate phase. Further, we emphasize the importance of quantifying the transformed phase fraction into the metallic rutile phase, beyond previously reported analyses, and we also clarify the importance of thermal heating in assisting the insulator-metal transition. Our complementary ab initio molecular dynamics calculations support the experimental findings and identify the primary Ag phonon mode coupling to photoexcitation. Our study provides the critical and previously missing precise 3D and time-resolved structural evolution of the crystal structure of photoexcited M1 VO2. These results provide the basis upon which to rationalize this archetypal photoinduced transition.
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Natural Science Foundation of China (NSFC); Fitzpatrick Institute for Photonics
- OSTI Identifier:
- 1866884
- Alternate Identifier(s):
- OSTI ID: 1889125
- Report Number(s):
- BNL-223459-2022-JAAM
Journal ID: ISSN 2160-3308; PRXHAE; 021032
- Grant/Contract Number:
- DESC0012704; SC0019978; SC0012704; 11774119
- Resource Type:
- Published Article
- Journal Name:
- Physical Review. X
- Additional Journal Information:
- Journal Name: Physical Review. X Journal Volume: 12 Journal Issue: 2; Journal ID: ISSN 2160-3308
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; chemical bonding; crystal structure; dynamical phase transitions; lattice dynamics; structural order parameter; electron diffraction; first-principles calculations
Citation Formats
Li, Junjie, Wu, Lijun, Yang, Shan, Jin, Xilian, Wang, Wei, Tao, Jing, Boatner, Lynn, Babzien, Marcus, Fedurin, Mikhail, Palmer, Mark, Yin, Weiguo, Delaire, Olivier, and Zhu, Yimei. Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in VO 2. United States: N. p., 2022.
Web. doi:10.1103/PhysRevX.12.021032.
Li, Junjie, Wu, Lijun, Yang, Shan, Jin, Xilian, Wang, Wei, Tao, Jing, Boatner, Lynn, Babzien, Marcus, Fedurin, Mikhail, Palmer, Mark, Yin, Weiguo, Delaire, Olivier, & Zhu, Yimei. Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in VO 2. United States. https://doi.org/10.1103/PhysRevX.12.021032
Li, Junjie, Wu, Lijun, Yang, Shan, Jin, Xilian, Wang, Wei, Tao, Jing, Boatner, Lynn, Babzien, Marcus, Fedurin, Mikhail, Palmer, Mark, Yin, Weiguo, Delaire, Olivier, and Zhu, Yimei. Mon .
"Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in VO 2". United States. https://doi.org/10.1103/PhysRevX.12.021032.
@article{osti_1866884,
title = {Direct Detection of V-V Atom Dimerization and Rotation Dynamic Pathways upon Ultrafast Photoexcitation in VO 2},
author = {Li, Junjie and Wu, Lijun and Yang, Shan and Jin, Xilian and Wang, Wei and Tao, Jing and Boatner, Lynn and Babzien, Marcus and Fedurin, Mikhail and Palmer, Mark and Yin, Weiguo and Delaire, Olivier and Zhu, Yimei},
abstractNote = {Photoinduced ultrafast phase transitions can generate quasiequilibrium states with novel emergent properties modulated by the interplay of electronic and lattice degrees of freedoms. Therefore, accurately probing transient atomic structures and their dynamics is crucial to understand and control the interaction of electrons and lattice but remains a central challenge of ultrafast science. Using MeV ultrafast electron diffraction on single crystals, we quantitatively reveal the photoinduced lattice distortion of the monoclinic M1 phase of VO2. Our results resolve previous controversies concerning decoupled distortion components, as well as a proposed M2 intermediate phase. Further, we emphasize the importance of quantifying the transformed phase fraction into the metallic rutile phase, beyond previously reported analyses, and we also clarify the importance of thermal heating in assisting the insulator-metal transition. Our complementary ab initio molecular dynamics calculations support the experimental findings and identify the primary Ag phonon mode coupling to photoexcitation. Our study provides the critical and previously missing precise 3D and time-resolved structural evolution of the crystal structure of photoexcited M1 VO2. These results provide the basis upon which to rationalize this archetypal photoinduced transition.},
doi = {10.1103/PhysRevX.12.021032},
journal = {Physical Review. X},
number = 2,
volume = 12,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2022},
month = {Mon May 09 00:00:00 EDT 2022}
}
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