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

Research output: Chapter in Book/Report/Conference proceedingConference 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 languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsV Bulatov, L Colombo, F Cleri, L Lewis, N Mousseau
Volume677
Publication statusPublished - 2001
EventAdvances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales - San Francisco, CA, United States
Duration: Apr 16 2001Apr 20 2001

Other

OtherAdvances in Materials Therory and Modeling - Bridging Over Multiple Length and Time Scales
CountryUnited States
CitySan Francisco, CA
Period4/16/014/20/01

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

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