Intrinsic Restructuring of Defects in Amorphous SiO₂ in Manipulating Electron-Trapping Levels via First Principles Study

Abstract:

A model of undefected and defected amorphous SiO₂ has been constructed from Rietveld Refinement to investigate the effect of defect structure to its properties. Atomic level study for both structure were carried out using plane-wave pseudo potential by density functional theory. A new electrons trapping energy level appears within the 5.853eV band gap of a-SiO₂ for oxygen-excess defected structure. This defect energy level reduces as more number of excess oxygen atoms was added to the structure of a-SiO₂. A spectral emission at 388nm from SiO₂ glass excited with 350nm (200mW) laser demonstrates the existence of the defective states in the structure in trapping electron at 3.273eV energy level.

• Periodical: Solid State Phenomena (Volume 268)
• Pages: 155-159
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.268.155
• Online since: October 2017
• Authors: S.N.M. Halim, R.M. Nor, Mohamad Fariz Mohamad Taib, Nurul Iznie Razaki, Mohd Hanapiah Mohd Yusoff, M. Kamil Abd-Rahman*
• Keywords: Amorphous Silica, CASTEP, Defects, Density Functional Theory (DFT)

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