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Journal Article

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

MPS-Authors
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Tancogne-Dejean,  Nicolas
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
European Theoretical Spectroscopy Facility (ETSF);

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Rubio,  Angel
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
European Theoretical Spectroscopy Facility (ETSF);
Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany;
Physics Department, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany;

Fulltext (public)

PhysRevLett.118.087403.pdf
(Publisher version), 725KB

Supplementary Material (public)

SupMat.pdf
(Supplementary material), 374KB

Citation

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.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002B-853E-1
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.