Impact ionization and Auger recombination in semiconductors: Implementation within the FLAPW code

S. Picozzi; A. Continenza; R. Asahi; W. Mannstadt; C. B. Geller; A. J. Freeman

Impact ionization and Auger recombination in semiconductors: Implementation within the FLAPW code

S. Picozzi, A. Continenza, R. Asahi, W. Mannstadt, C. B. Geller, A. J. Freeman

Northwestern University

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

We present a method to calculate impact ionization and Auger recombination rates within density functional theory and a screened-exchange approach and implement it in the all-electron FLAPW method. We investigate the dependence of the overlap matrix elements as a function of the states involved along the main symmetry lines of the Brillouin zone. Our results for the final impact ionization rates along Γ - X and Γ - L directions for GaAs show a strong anisotropy imposed by energy and momentum conservation and related to the use of a realistic and accurate sX-LDA band structure.

Original language	English
Title of host publication	Materials Research Society Symposium - Proceedings
Editors	V Bulatov, L Colombo, F Cleri, L Lewis, N Mousseau
Volume	677
Publication status	Published - 2001
Event	Advances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales - San Francisco, CA, United States Duration: Apr 16 2001 → Apr 20 2001

Other

Other	Advances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales
Country	United States
City	San Francisco, CA
Period	4/16/01 → 4/20/01

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials

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Impact ionization and Auger recombination in semiconductors : Implementation within the FLAPW code. / Picozzi, S.; Continenza, A.; Asahi, R.; Mannstadt, W.; Geller, C. B.; Freeman, A. J.

Materials Research Society Symposium - Proceedings. ed. / V Bulatov; L Colombo; F Cleri; L Lewis; N Mousseau. Vol. 677 2001.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Picozzi, S, Continenza, A, Asahi, R, Mannstadt, W, Geller, CB & Freeman, AJ 2001, Impact ionization and Auger recombination in semiconductors: Implementation within the FLAPW code. in V Bulatov, L Colombo, F Cleri, L Lewis & N Mousseau (eds), Materials Research Society Symposium - Proceedings. vol. 677, Advances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales, San Francisco, CA, United States, 4/16/01.

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T2 - Advances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales

AU - Picozzi, S.

AU - Continenza, A.

AU - Asahi, R.

AU - Mannstadt, W.

AU - Geller, C. B.

AU - Freeman, A. J.

PY - 2001

Y1 - 2001

N2 - We present a method to calculate impact ionization and Auger recombination rates within density functional theory and a screened-exchange approach and implement it in the all-electron FLAPW method. We investigate the dependence of the overlap matrix elements as a function of the states involved along the main symmetry lines of the Brillouin zone. Our results for the final impact ionization rates along Γ - X and Γ - L directions for GaAs show a strong anisotropy imposed by energy and momentum conservation and related to the use of a realistic and accurate sX-LDA band structure.

AB - We present a method to calculate impact ionization and Auger recombination rates within density functional theory and a screened-exchange approach and implement it in the all-electron FLAPW method. We investigate the dependence of the overlap matrix elements as a function of the states involved along the main symmetry lines of the Brillouin zone. Our results for the final impact ionization rates along Γ - X and Γ - L directions for GaAs show a strong anisotropy imposed by energy and momentum conservation and related to the use of a realistic and accurate sX-LDA band structure.

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VL - 677

BT - Materials Research Society Symposium - Proceedings

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A2 - Colombo, L

A2 - Cleri, F

A2 - Lewis, L

A2 - Mousseau, N

Y2 - 16 April 2001 through 20 April 2001

ER -