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First Principles Calculations of Auger Recombination and Impact Ionization Rates in Semiconductors

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Abstract

A first-principles approach within the screened-exchange approximation to the density functional theory is proposed to simulate the impact ionization process in semiconductors. Results for InP are reported and discussed in comparison with those obtained for the most studied GaAs. The formalism is extended to the calculation of Auger recombination rates: the results for GaAs are found to be in good agreement with previous experimental and theoretical works. Moreover, Auger lifetimes calculated directly via Fermi's Golden Rule are shown to be in excellent agreement with lifetime values determined via detailed balance principles proceeding from calculated impact ionization rates.

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Authors and Affiliations

  1. INFM and Department of Phyics, University of L'Aquila, 67010, Coppito, L'Aquila, Italy

    S. Picozzi

  2. Toyota Central R&D Labs., Inc., Nagakute, Japan

    R. Asahi

  3. Dept. Physics and Astronomy and Materials Research Center, Northwestern University, Evanston, IL, 60201, USA

    A.J. Freeman

Authors
  1. S. Picozzi
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  2. R. Asahi
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  3. A.J. Freeman
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Picozzi, S., Asahi, R. & Freeman, A. First Principles Calculations of Auger Recombination and Impact Ionization Rates in Semiconductors. Journal of Computational Electronics 2, 197–202 (2003). https://doi.org/10.1023/B:JCEL.0000011424.07265.d5

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  • DOI: https://doi.org/10.1023/B:JCEL.0000011424.07265.d5

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