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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
by
Guo, Feng-Wu
, Liu, Wen-Hao
, Wang, Zhi
, Luo, Jun-Wei
, Li, Shu-Shen
, Wang, Lin-Wang
in
119/118
/ 639/301/1034/1038
/ 639/624/400/584
/ 639/638/563/606
/ 639/766/119/2795
/ Density functional theory
/ Dimers
/ Excitation
/ Humanities and Social Sciences
/ Metals
/ Molecular structure
/ multidisciplinary
/ Neural networks
/ Nucleation
/ Phase transitions
/ Real time
/ Rutile
/ Science
/ Science (multidisciplinary)
/ Time dependence
/ Vanadium
/ Vanadium dioxide
/ Vanadium oxides
2025
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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
by
Guo, Feng-Wu
, Liu, Wen-Hao
, Wang, Zhi
, Luo, Jun-Wei
, Li, Shu-Shen
, Wang, Lin-Wang
in
119/118
/ 639/301/1034/1038
/ 639/624/400/584
/ 639/638/563/606
/ 639/766/119/2795
/ Density functional theory
/ Dimers
/ Excitation
/ Humanities and Social Sciences
/ Metals
/ Molecular structure
/ multidisciplinary
/ Neural networks
/ Nucleation
/ Phase transitions
/ Real time
/ Rutile
/ Science
/ Science (multidisciplinary)
/ Time dependence
/ Vanadium
/ Vanadium dioxide
/ Vanadium oxides
2025
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While trying to remove the title from your shelf something went wrong :( Kindly try again later!
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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
by
Guo, Feng-Wu
, Liu, Wen-Hao
, Wang, Zhi
, Luo, Jun-Wei
, Li, Shu-Shen
, Wang, Lin-Wang
in
119/118
/ 639/301/1034/1038
/ 639/624/400/584
/ 639/638/563/606
/ 639/766/119/2795
/ Density functional theory
/ Dimers
/ Excitation
/ Humanities and Social Sciences
/ Metals
/ Molecular structure
/ multidisciplinary
/ Neural networks
/ Nucleation
/ Phase transitions
/ Real time
/ Rutile
/ Science
/ Science (multidisciplinary)
/ Time dependence
/ Vanadium
/ Vanadium dioxide
/ Vanadium oxides
2025
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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
Journal Article
Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
2025
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Overview
The insulator-to-metal transition in VO
2
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 VO
2
, 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 VO
2
.
Vanadium dioxide exhibits an insulator-to-metal transition when exciting by a laser. Here, the authors show the transition arises from the dissociation of local V-V dimers and show the existence of the monoclinic metallic phase from ab initio simulations.
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