Modelling of defect states in covalent amorphous solids

• Main Author: Ukpong, Aniekan Magnus
• Other Authors: Britton, David T
• Format: Doctoral Thesis
• Language: English
• Published: University of Cape Town 2014
• Subjects: Physics
• Online Access: http://hdl.handle.net/11427/6514

Includes abstract. === Includes bibliographical references (leaves 181-202). === This study consists of the tight binding molecular dynamics simulations, of the bulk and defect structures, in hydrogenated amorphous silicon. Emphasis is given to the systematic analysis of the changes in the network structures, which occur due to the incorporation of hydrogen, at different levels of concentration. The atomic-level stress in the simulated structures is defined, in a manner that is consistent with the local structure. The concept of configurational landscapes is introduced, as a new analysis framework for the correlations between the stress fluctuations and the modifications of the local structure.