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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. (2020). Ultrafast transient absorption spectroscopy of the charge-transfer insulator NiO: Beyond the dynamical Franz-Keldysh effect. Physical Review B, 102(11): 115106. doi:10.1103/PhysRevB.102.115106.

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PhysRevB.102.115106.pdf (Publisher version), 2MB
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Open access publication funded by the Max Planck Society.
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https://arxiv.org/abs/1906.11316 (Preprint)
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https://dx.doi.org/10.1103/PhysRevB.102.115106 (Publisher version)
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 Creators:
Tancogne-Dejean, N.1, 2, Author              
Sentef, M. A.2, 3, Author              
Rubio, A.1, 2, 4, Author              
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Free-Electron Laser Science, ou_persistent22              
3Theoretical Description of Pump-Probe Spectroscopies in Solids, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3012828              
4Center 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: 2020-02-052019-06-262020-08-162020-09-032020-09-15
 Publication Status: Published in print
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 Rev. Type: Peer
 Identifiers: arXiv: 1906.11316
DOI: 10.1103/PhysRevB.102.115106
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 102 (11) Sequence Number: 115106 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008