TY - JOUR
T1 - Accurate First-Principles Detailed-Balance Determination of Auger Recombination and Impact Ionization Rates in Semiconductors
AU - Picozzi, S.
AU - Asahi, R.
AU - Geller, C. B.
AU - Freeman, A. J.
N1 - Funding Information:
This work at Northwestern University was supported by the National Science Foundation (through its MRSEC program at the Materials Research Center).
PY - 2002
Y1 - 2002
N2 - The technologically important prediction of Auger recombination lifetimes in semiconductors is addressed by means of a fully first-principles formalism, based on precise energy bands and wave functions provided by the full-potential linearized augmented plane wave code. The minority carrier Auger lifetime is determined by two related approaches: (i) a direct evaluation within Fermi’s golden rule, and (ii) an indirect evaluation, based on a detailed balance formulation combining Auger recombination and its inverse process, impact ionization, in a unified framework. Lifetimes determined with the direct and indirect methods show excellent consistency between them (i) for [Formula presented]-doped GaAs and (ii) with measured values for GaAs and InGaAs. This indicates the computational formalism as a new sensitive tool for use in materials performance optimization.
AB - The technologically important prediction of Auger recombination lifetimes in semiconductors is addressed by means of a fully first-principles formalism, based on precise energy bands and wave functions provided by the full-potential linearized augmented plane wave code. The minority carrier Auger lifetime is determined by two related approaches: (i) a direct evaluation within Fermi’s golden rule, and (ii) an indirect evaluation, based on a detailed balance formulation combining Auger recombination and its inverse process, impact ionization, in a unified framework. Lifetimes determined with the direct and indirect methods show excellent consistency between them (i) for [Formula presented]-doped GaAs and (ii) with measured values for GaAs and InGaAs. This indicates the computational formalism as a new sensitive tool for use in materials performance optimization.
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U2 - 10.1103/PhysRevLett.89.197601
DO - 10.1103/PhysRevLett.89.197601
M3 - Article
AN - SCOPUS:16444382481
VL - 89
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 19
ER -