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

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

Research output: Contribution to journalArticle

4 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)197-202
Number of pages6
JournalJournal of Computational Electronics
Volume2
Issue number2-4
DOIs
Publication statusPublished - Dec 1 2003

Fingerprint

Impact ionization
First-principles Calculation
Gallium Arsenide
Ionization
Recombination
Semiconductors
Lifetime
Fermi's Golden Rule
Semiconductor materials
ionization
life (durability)
Detailed Balance
First-principles
Density Functional
Density functional theory
density functional theory
formalism
Approximation
approximation
gallium arsenide

Keywords

  • 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

Cite this

First Principles Calculations of Auger Recombination and Impact Ionization Rates in Semiconductors. / Picozzi, S.; Asahi, R.; Freeman, A. J.

In: Journal of Computational Electronics, Vol. 2, No. 2-4, 01.12.2003, p. 197-202.

Research output: Contribution to journalArticle

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