Photo-induced insulator-metal transition in paramagnetic (V_1-xCr_x)_2O_3
arxiv(2024)
摘要
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_2O_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.
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