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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation

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Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
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.