The use of bulk states to accelerate the band edge statecalculation of a semiconductor quantum dot [electronic resource].
- Washington, D.C. : United States. Dept. of Energy, 2006.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Additional Creators:
- United States. Department of Energy
United States. Department of Energy. Office of Scientific and Technical Information
- We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations.
- Published through SciTech Connect.
Journal of Computational Physics 223 2 ISSN 0021-9991; JCTPAH FT
Dongarra, Jack J.; Wang, Lin-Wang; Marques,Osni A.; Tomov, Stanimire Z.; Vomel, Christof.
Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA (US)
- Funding Information:
View MARC record | catkey: 14343642