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

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

doi:10.1023/B:JCEL.0000011424.07265.d5

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

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

Northwestern University

Research output: Contribution to journal › Article › peer-review

5 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 language	English
Pages (from-to)	197-202
Number of pages	6
Journal	Journal of Computational Electronics
Volume	2
Issue number	2-4
DOIs	https://doi.org/10.1023/B:JCEL.0000011424.07265.d5
Publication status	Published - Dec 1 2003

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

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AU - Asahi, R.

AU - Freeman, A. J.

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N2 - 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.

AB - 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.

KW - Auger recombination

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KW - impact ionization

KW - screened exchange

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

Abstract

Keywords

ASJC Scopus subject areas

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