Ab initio study of the nonlinear optics of III-V semiconductors in the terahertz regime

Eric Roman, Jonathan R. Yates, Marek Veithen, David Vanderbilt, and Ivo Souza
Phys. Rev. B 74, 245204 – Published 11 December 2006

Abstract

We compute from first principles the infrared dispersion of the nonlinear susceptibility χ(2) in zinc-blende semiconductors. At terahertz frequencies the nonlinear susceptibility depends not only on the purely electronic response χ(2), but also on three other parameters C1, C2, and C3 describing the contributions from ionic motion. They relate to the TO Raman polarizability, the second-order displacement-induced dielectric polarization, and the third-order lattice potential. Contrary to previous theory, we find that mechanical anharmonicity (C3) dominates over electrical anharmonicity (C2), which is consistent with recent experiments on GaAs. We predict that the sharp minimum in the intensity of second-harmonic generation recently observed for GaAs between ωTO2 and ωTO does not occur for several other III-V compounds.

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  • Received 29 August 2006

DOI:https://doi.org/10.1103/PhysRevB.74.245204

©2006 American Physical Society

Authors & Affiliations

Eric Roman1, Jonathan R. Yates1,2, Marek Veithen3, David Vanderbilt4, and Ivo Souza1,2

  • 1Department of Physics, University of California, Berkeley, California 94720, USA
  • 2Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  • 3Département de Physique, Université de Liège, B-5, B-4000 Sart-Tilman, Belgium
  • 4Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA

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Issue

Vol. 74, Iss. 24 — 15 December 2006

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