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  Ultrafast Transient Absorption Spectroscopy of the Charge-Transfer Insulator NiO: Beyond the Dynamical Franz-Keldysh Effect

Tancogne-Dejean, N., Sentef, M. A., & Rubio, A. (2019). Ultrafast Transient Absorption Spectroscopy of the Charge-Transfer Insulator NiO: Beyond the Dynamical Franz-Keldysh Effect.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-E97B-D Version Permalink: http://hdl.handle.net/21.11116/0000-0003-E985-0
Genre: Paper

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1906.11316.pdf (Preprint), 2MB
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2019
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https://arxiv.org/abs/1906.11316 (Preprint)
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 Creators:
Tancogne-Dejean, N.1, Author              
Sentef, M. A.2, Author              
Rubio, A.1, 3, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Theoretical Description of Pump-Probe Spectroscopies in Solids, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3012828              
3Center for Computational Quantum Physics (CCQ),The Flatiron Institute, ou_persistent22              

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 Abstract: We demonstrate that a dynamical modification of the Hubbard U in the model charge-transfer insulator NiO can be observed with state-of-the-art time-resolved absorption spectroscopy. Using a self-consistent time-dependent density functional theory plus U computational framework, we show that the dynamical modulation of screening and Hubbard U significantly changes the transient optical spectroscopy. Whereas we find the well-known dynamical Franz-Keldysh effect when the U is frozen, we observe a dynamical band-gap renormalization for dynamical U. The renormalization of the optical gap is found to be smaller than the renormalization of U. This work opens up the possibility of driving a light-induced transition from a charge-transfer into a Mott insulator phase.

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Language(s): eng - English
 Dates: 2019-06-26
 Publication Status: Published online
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: No review
 Identifiers: arXiv: 1906.11316
 Degree: -

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