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  Photoionization and transient Wannier-Stark ladder in silicon: First-principles simulations versus Keldysh theory

Derrien, T.-J.-Y., Tancogne-Dejean, N., Zhukov, V. P., Appel, H., Rubio, A., & Bulgakova, N. M. (2021). Photoionization and transient Wannier-Stark ladder in silicon: First-principles simulations versus Keldysh theory. Physical Review B, 104(24): L241201. doi:10.1103/PhysRevB.104.L241201.

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PhysRevB.104.L241201.pdf (Publisher version), 2MB
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Published by the American Physical Society
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Supplemental Material: The supplementary information contains technical simulation details, a reminder of analytical models employed for the figure preparation, a parametrization of the results obtained in simulations, a table of excitation rates and a link to database repository.
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https://arxiv.org/abs/2104.08971 (Preprint)
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https://doi.org/10.1103/PhysRevB.104.L241201 (Publisher version)
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 Creators:
Derrien, T. J.-Y.1, Author
Tancogne-Dejean, N.2, Author              
Zhukov, V. P.1, 3, Author
Appel, H.2, Author              
Rubio, A.2, Author              
Bulgakova, N. M.1, Author
Affiliations:
1HiLASE Centre, Institute of Physics, Academy of Science of the Czech Republic, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
3Federal Research Center for Information and Computational Technologies, ou_persistent22              

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 Abstract: Nonlinear photoionization of dielectrics and semiconductors is widely treated in the framework of the Keldysh theory whose validity is limited to photon energies that are small compared to the band gap and relatively low laser intensities. The time-dependent density functional theory (TDDFT) simulations, which are free of these limitations, enable one to gain insight into nonequilibrium dynamics of the electronic structure. Here we apply TDDFT to investigate the photoionization of silicon crystal by ultrashort laser pulses in a wide range of laser wavelengths and intensities and compare the results with predictions of the Keldysh theory. Photoionization rates derived from the simulations considerably exceed the data obtained with the Keldysh theory within the validity range of the latter. Possible reasons for the discrepancy are discussed and we provide fundamental data on the photoionization rates beyond the limits of the Keldysh theory. By investigating the features of the Stark shift as a function of photon energy and laser field strength, a manifestation of the transient Wannier-Stark ladder states is revealed, which become blurred with increasing laser field strength. Finally, it is shown that the TDDFT simulations can potentially provide reliable data on the electron damping time that is of high importance for large-scale modeling.

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Language(s): eng - English
 Dates: 2021-11-132021-08-202021-11-162021-12-222021-12-15
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: arXiv: 2104.08971
DOI: 10.1103/PhysRevB.104.L241201
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Project name : -
Grant ID : 657424
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)
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Grant ID : 823897
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)
Project name : N.T.-D., H.A. and A.R. acknowledge financial support from the European Research Council (ERC-2015-AdG694097), the Cluster of Excellence Advanced Imaging of Matter (AIM), Grupos Consolidados (IT1249-19) and Deutsche Forschungsgemein- schaft (DFG) SFB-925 Project 170620586.
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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: 104 (24) Sequence Number: L241201 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008