The emperical pseudopotential method in the large basis approach was used to calculate
the electronic bandstructures of bulk semiconductor materials and layered semiconductor
heterostructures. The crucial continuous atomic form factor potentials needed to carry out
such calculations were determined by using Levenberg-Marquardt optimization in order
to obtain optimal cubic spline interpolations of the potentials. The optimized potentials
were not constrained by any particular functional form (such as a linear combination of
Gaussians) and had better convergence properties for the optimization. It was demonstrated
that the results obtained in this work could potentially lead to better agreement
between calculated and empirically determined band gaps via optimization / Physics / M. Sc. (Physics)
| Identifer | oai:union.ndltd.org:netd.ac.za/oai:union.ndltd.org:unisa/oai:uir.unisa.ac.za:10500/20116 |
| Date | 18 March 2016 |
| Creators | Mpshe, Kagiso |
| Contributors | Botha, A. E. |
| Source Sets | South African National ETD Portal |
| Language | English |
| Detected Language | English |
| Type | Dissertation |
| Format | 1 online resource (ix, 79 leaves) : illustrations |
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