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  Ultrafast modification of Hubbard U in a strongly correlated material: ab initio high-harmonic generation in NiO

Tancogne-Dejean, N., Sentef, M. A., & Rubio, A. (2018). Ultrafast modification of Hubbard U in a strongly correlated material: ab initio high-harmonic generation in NiO. Physical Review Letters, 121(9): 097402. doi:10.1103/PhysRevLett.121.097402.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-AFEC-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-A48D-5
Genre: Journal Article

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1712.01067.pdf (Preprint), 450KB
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 Creators:
Tancogne-Dejean, N.1, 2, Author              
Sentef, M. A.2, 3, Author              
Rubio, A.1, 2, 4, 5, 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              
4Nano-Bio Spectroscopy Group, Universidad del Paìs Vasco, ou_persistent22              
5Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              

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 Abstract: Engineering effective electronic parameters is a major focus in condensed matter physics. Their dynamical modulation opens the possibility of creating and controlling physical properties in systems driven out of equilibrium. In this work, we demonstrate that the Hubbard U, the on-site Coulomb repulsion in strongly correlated materials, can be modified on femtosecond time scales by a strong nonresonant laser excitation in the prototypical charge transfer insulator NiO. Using our recently developed time-dependent density functional theory plus self-consistent U (TDDFT+U) method, we demonstrate the importance of a dynamically modulated U in the description of the high-harmonic generation of NiO. Our study opens the door to novel ways of modifying effective interactions in strongly correlated materials via laser driving, which may lead to new control paradigms for field-induced phase transitions and perhaps laser-induced Mott insulation in charge-transfer materials.

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Language(s): eng - English
 Dates: 2017-12-042017-12-042018-08-30
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: arXiv: 1712.01067
DOI: 10.1103/PhysRevLett.121.097402
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Project name : A. R. acknowledges financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13), and European Union’s H2020 program under GA No. 676580 (NOMAD), and M. A. S. through the DFG Emmy Noether programme (SE 2558/2-1). We would like to thank O. D. Mücke and M. Altarelli for fruitful discussions.
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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 121 (9) Sequence Number: 097402 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1