Nature of the photo-induced metallic state in monoclinic VO$_2$

Fuente: arXiv
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Main Authors: Chen, Jiyu, Petocchi, Francesco, Christiansson, Viktor, Werner, Philipp
Format: Preprint
Published: 2023
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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
id 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