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  Impact of the electronic band structure in high-harmonic generation spectra of solids

Tancogne-Dejean, N., Mücke, O. D., Kärtner, F. X., & Rubio, A. (2017). Impact of the electronic band structure in high-harmonic generation spectra of solids. Physical Review Letters, 118(8): 087403. doi:10.1103/PhysRevLett.118.087403.

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PhysRevLett.118.087403.pdf (Publisher version), 725KB
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https://arxiv.org/abs/1609.09298 (Preprint)
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 Creators:
Tancogne-Dejean, Nicolas1, 2, Author           
Mücke, Oliver D.3, 4, Author
Kärtner, Franz X.3, 4, 5, 6, Author
Rubio, Angel1, 2, 3, 5, Author           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2European Theoretical Spectroscopy Facility (ETSF), ou_persistent22              
3Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany, ou_persistent22              
4The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg, Germany, ou_persistent22              
5Physics Department, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany, ou_persistent22              
6Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA, ou_persistent22              

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Free keywords: DENSITY-FUNCTIONAL THEORY; ATTOSECOND PULSES; IONIZATION
 Abstract: An accurate analytic model describing the microscopic mechanism of high-harmonic generation (HHG) in solids is derived. Extensive first-principles simulations within a time-dependent density-functional framework corroborate the conclusions of the model. Our results reveal that (i) the emitted HHG spectra are highly anisotropic and laser-polarization dependent even for cubic crystals; (ii) the harmonic emission is enhanced by the inhomogeneity of the electron-nuclei potential; the yield is increased for heavier atoms; and (iii) the cutoff photon energy is driver-wavelength independent. Moreover, we show that it is possible to predict the laser polarization for optimal HHG in bulk crystals solely from the knowledge of their electronic band structure. Our results pave the way to better control and optimize HHG in solids by engineering their band structure.

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Language(s): eng - English
 Dates: 2016-09-292017-02-242017-02-24
 Publication Status: Issued
 Pages: -
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 Rev. Type: Peer
 Identifiers: arXiv: 1609.09298
DOI: 10.1103/PhysRevLett.118.087403
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Project name : We acknowledge financial support from the European Research Council (Grant No. ERC-2015-AdG-694097), and COST Action Grant No. MP1306 (EUSpec). N. T.-D. and A. R. thank K.-M. Lee, S. A. Sato and T. J.-Y. Derrien for helpful discussions. F. X. K. and O. D. M. acknowledge support by the excellence cluster “The Hamburg Centre of Ultrafast Imaging-Structure, Dynamics and Control of Matter at the Atomic Scale” and the priority program QUTIF (Grant No. SPP1840 SOLSTICE) of the Deutsche Forschungsgemeinschaft.
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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: 118 (8) Sequence Number: 087403 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1