Nature of the photo-induced metallic state in monoclinic VO$_2$
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| Main Authors: | , , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866916737161625600 |
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| author | Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp |
| author_facet | Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp |
| contents | The metal-insulator transition of VO$_2$, which in equilibrium is associated with a structural phase transition, has been intensively studied for decades. In particular, it is challenging to disentangle the role of Mott physics from dimerization effects in the insulating phase. Femtosecond time-resolved experiments showed that optical excitations can induce a transient metallic state in the dimerized phase, which is distinct from the known equilibrium phases. In this study, we combine non-equilibrium cluster dynamical mean-field theory with realistic first principles modeling to clarify the nature of this laser-induced metallic state. We show that the doublon-holon production by laser pulses with polarization along the V-V dimers and the subsequent inter-orbital reshuffling of the photo-carriers leads to a population of orbital-mixed states and the filling of the gap. The photo-induced metal state is qualitatively similar to a hot electronic state in the dimerized structure, and does not involve a collapse of the Mott gap. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2310_18195 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Nature of the photo-induced metallic state in monoclinic VO$_2$ Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp Strongly Correlated Electrons The metal-insulator transition of VO$_2$, which in equilibrium is associated with a structural phase transition, has been intensively studied for decades. In particular, it is challenging to disentangle the role of Mott physics from dimerization effects in the insulating phase. Femtosecond time-resolved experiments showed that optical excitations can induce a transient metallic state in the dimerized phase, which is distinct from the known equilibrium phases. In this study, we combine non-equilibrium cluster dynamical mean-field theory with realistic first principles modeling to clarify the nature of this laser-induced metallic state. We show that the doublon-holon production by laser pulses with polarization along the V-V dimers and the subsequent inter-orbital reshuffling of the photo-carriers leads to a population of orbital-mixed states and the filling of the gap. The photo-induced metal state is qualitatively similar to a hot electronic state in the dimerized structure, and does not involve a collapse of the Mott gap. |
| title | Nature of the photo-induced metallic state in monoclinic VO$_2$ |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2310.18195 |