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

S. Picozzi, R. Asahi, A. J. Freeman

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4 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)197-202
Number of pages6
JournalJournal of Computational Electronics
Issue number2-4
Publication statusPublished - Dec 1 2003



  • Auger recombination
  • density functional theory
  • impact ionization
  • screened exchange

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Modelling and Simulation
  • Electrical and Electronic Engineering

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