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http://hdl.handle.net/123456789/192
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| Title: | AB INITIO CALCULATION OF OPTICAL ABSORPTION AND OPTICAL GAP OF SILICON NANOCRYSTALLITES |
| Authors: | Derese, Gugsa |
| Advisors: | Dr. S.K Ghoshal |
| Copyright: | 2007 |
| Date Added: | 11-Oct-2007 |
| Publisher: | Addis Ababa University |
| Abstract: | The electronic and optical properties of hydrogenated silicon nanocrystals have been
investigated both in the ground- and in an excited-state configuration, through different
ab-initio techniques. The presence of an electron-hole pair leads to a strong
interplay between the structural and optical properties of the system. The aim of
this work was to investigate the optical properties of hydrogenated Si nanoclusters
(H-Si-nc) that has recent experimental interest for photonic applications. The optical
absorption spectra of small SinHm nanoclusters are computed using a linear
response theory within the time-dependent local density approximation (TDLDA).
The TDLDA formalism allows the electronic screening and correlation effects, which
determine exciton binding energies, to be naturally incorporated within an ab initio
framework. We examined that the calculated excitation energies and optical absorption
gaps to be in good agreement with experiment. |
| Description: | A thesis submitted to the School of Graduate Studies Addis Ababa University In partial Fulfilment of the Requirements for the Degree of Master of Science in Physics |
| URI: | http://hdl.handle.net/123456789/192 |
| Appears in: | Thesis - Physics
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