A dissertation submitted for the fulfilment of the requirements of the degree of Master of Science
to the Faculty of Science, Witwatersrand University, Johannesburg.
June 2016. / The combination of effective numerical techniques and scientific intuition to find new and novel
types of materials is the process used in the discovery of materials for future technologies. Adding
to that, being able to calculate the radiative lifetimes of excitons, exciton properties, and the
optical properties by using efficient numerical techniques gives an estimation and identification
of the best candidate materials for a solar cell. This approach is inexpensive and stable. Present
ab initio methods based on Many-body perturbation theory and density functional theory are
capable of predicting these properties with a high enough level of accuracy for most cases.
The electronic properties calculated using GaAs as a reference system and the 3D hybird perovskite
CH3NH3PbI3 are based on density functional theory. The optical properties are investigated
by calculating the dielectric function. The theoretical framework of the radiative lifetime
of excitons and calculating the exciton properties are based on Wannier model of the exciton
and the Bethe-Salpeter equation. / MT2017
| Identifer | oai:union.ndltd.org:netd.ac.za/oai:union.ndltd.org:wits/oai:wiredspace.wits.ac.za:10539/22735 |
| Date | January 2016 |
| Creators | Mohammad, Khaled Shehata Baiuomy |
| Source Sets | South African National ETD Portal |
| Language | English |
| Detected Language | English |
| Type | Thesis |
| Format | Online resource (vi, 87 leaves), application/pdf, application/pdf, application/pdf |
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