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 | |
| Publication status | Published - Dec 1 2003 |
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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 journal › Article
}
TY - JOUR
T1 - First Principles Calculations of Auger Recombination and Impact Ionization Rates in Semiconductors
AU - Picozzi, S.
AU - Asahi, R.
AU - Freeman, A. J.
PY - 2003/12/1
Y1 - 2003/12/1
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
KW - density functional theory
KW - impact ionization
KW - screened exchange
UR - http://www.scopus.com/inward/record.url?scp=85025701506&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85025701506&partnerID=8YFLogxK
U2 - 10.1023/B:JCEL.0000011424.07265.d5
DO - 10.1023/B:JCEL.0000011424.07265.d5
M3 - Article
AN - SCOPUS:85025701506
VL - 2
SP - 197
EP - 202
JO - Journal of Computational Electronics
JF - Journal of Computational Electronics
SN - 1569-8025
IS - 2-4
ER -