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.
|Journal||Materials Research Society Symposium - Proceedings|
|Publication status||Published - 2001|
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering