Photo-induced insulator-metal transition in paramagnetic (V$_{1-x}$Cr$_{x}$)$_2$O$_3$
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866910523591753728 |
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| author | Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp |
| author_facet | Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp |
| contents | Pump-probe experiments with femtosecond time resolution allow to disentangle the electronic dynamics from the lattice response and thus provide valuable insights into the non-equilibrium behavior of correlated materials. In Cr-doped V$_2$O$_3$, a multi-orbital Mott-Hubbard material which has been intensively investigated for decades, time-resolved experiments reported a photo-induced insulator-metal transition leading to a transient metal state with nonthermal properties. Here, we combine non-equilibrium dynamical mean-field theory with realistic first principles modeling to simulate the ultrafast response of this material to a laser excitation. Our calculations reproduce the insulating initial state, with orbital occupations in agreement with experiment, and reveal an ultrafast pump-induced gap filling associated with a charge reshuffling between the $e_g^π$ and $a_{1g}$ orbitals. However, in contrast to the related compound VO$_2$, the electronic system thermalizes within a few tens of femtoseconds and we find no evidence for the existence of a metastable nonthermal metal. This suggests that the reported nonthermal behavior in the experiments may be associated with the mismatch between the electronic and lattice temperatures. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2404_18819 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Photo-induced insulator-metal transition in paramagnetic (V$_{1-x}$Cr$_{x}$)$_2$O$_3$ Chen, Jiyu Petocchi, Francesco Christiansson, Viktor Werner, Philipp Strongly Correlated Electrons Computational Physics Pump-probe experiments with femtosecond time resolution allow to disentangle the electronic dynamics from the lattice response and thus provide valuable insights into the non-equilibrium behavior of correlated materials. In Cr-doped V$_2$O$_3$, a multi-orbital Mott-Hubbard material which has been intensively investigated for decades, time-resolved experiments reported a photo-induced insulator-metal transition leading to a transient metal state with nonthermal properties. Here, we combine non-equilibrium dynamical mean-field theory with realistic first principles modeling to simulate the ultrafast response of this material to a laser excitation. Our calculations reproduce the insulating initial state, with orbital occupations in agreement with experiment, and reveal an ultrafast pump-induced gap filling associated with a charge reshuffling between the $e_g^π$ and $a_{1g}$ orbitals. However, in contrast to the related compound VO$_2$, the electronic system thermalizes within a few tens of femtoseconds and we find no evidence for the existence of a metastable nonthermal metal. This suggests that the reported nonthermal behavior in the experiments may be associated with the mismatch between the electronic and lattice temperatures. |
| title | Photo-induced insulator-metal transition in paramagnetic (V$_{1-x}$Cr$_{x}$)$_2$O$_3$ |
| topic | Strongly Correlated Electrons Computational Physics |
| url | https://arxiv.org/abs/2404.18819 |